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3-Amino-4-Methoxy-N-Phenylbenzamide
CAS: 120-35-4 | C14H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-35-4
Molecular Formula:
C14H14N2O2
Molecular Mass:
242.28 g/mol
Names and Synonyms:
3-Amino-4-Methoxy-N-Phenylbenzamide
Benzamide, 3-amino-4-methoxy-N-phenyl-
p-Anisanilide, 3-amino-
3-Amino-4-methoxy-N-phenylbenzamide
3-Amino-p-anisanilide
3-Amino-4-methoxybenzanilide
1-Amino-2-methoxybenzene-5-carboxylic acid phenylamide
NSC 50647
3-Amino-4-methoxy-N-phenylbenzoic acid amide
M 40 (pigment)
M 40
N-Phenyl-3-amino-4-methoxybenzenecarboxamide
Identifiers:
SMILES:
COc1ccc(C(O)=Nc2ccccc2)cc1N
InChI:
InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.28 g/mol | CAS Common Chemistry |
| 242.27800000000002 g/mol | RDKit | |
| 242.105527688 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=LHMQDVIHBXWNII-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Amino-4-methoxy-N-phenylbenzamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 2.9137000000000004 | RDKit |
| Molar Refractivity | 72.67420000000003 | RDKit |
