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2-Amino-N-Phenylbenzamide
CAS: 4424-17-3 | C13H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4424-17-3
Molecular Formula:
C13H12N2O
Molecular Mass:
212.25 g/mol
Names and Synonyms:
2-Amino-N-Phenylbenzamide
Benzamide, 2-amino-N-phenyl-
Benzanilide, 2-amino-
2-Amino-N-phenylbenzamide
Anthranilanilide
N-(2-Aminobenzoyl)aniline
2-Aminobenzanilide
N-Phenylanthranilamide
2-(N-Phenylcarbamoyl)aniline
NSC 50644
N-Phenyl-2-aminobenzamide
N-(2-Aminobenzoyl)phenylamine
Identifiers:
SMILES:
Nc1ccccc1C(O)=Nc1ccccc1
InChI:
InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
Key Properties
Melting Point
131-132 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.252 g/mol | RDKit | |
| 212.094963004 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C=2C=CC=CC2N | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=FDPVTENMNDHFNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C | CAS Common Chemistry |
| Name | 2-Amino-N-phenylbenzamide | 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 | 58.61 Ų | RDKit |
| LogP | 2.905100000000001 | RDKit |
| Molar Refractivity | 66.12220000000002 | RDKit |
