Back to Search
Molecule
N-(4-Aminophenyl)Benzamide
CAS: 17625-83-1 · C13H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17625-83-1
- Molecular Formula
- C13H12N2O
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
17625-83-1
SMILES
Nc1ccc(NC(=O)c2ccccc2)cc1
InChI Key
GTTFJYUWPUKXJH-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
Names and Synonyms
- N-(4-Aminophenyl)Benzamide Synonym
- Benzamide, N-(4-aminophenyl)- Synonym
- Benzanilide, 4′-amino- Synonym
- N-(4-Aminophenyl)benzamide Synonym
- N-Benzoyl-1,4-diaminobenzene Synonym
- 1-Amino-4-(benzoylamino)benzene Synonym
- N-Benzoyl-p-phenylenediamine Synonym
- 4′-Aminobenzanilide Synonym
- p-Benzamidoaniline Synonym
- N-Benzoyl-4-aminoaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI | InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=GTTFJYUWPUKXJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129 °C | CAS Common Chemistry |
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.25200000000004 g/mol | RDKit | |
| 212.252 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(N)C=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.12 Ų | RDKit |
| LogP | 2.5211000000000006 | RDKit |
| 2.5211 | RDKit | |
| Molar Refractivity | 65.24960000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 212.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2O.
