2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide

C14H12ClN3O2 — CID 80503937

IUPAC2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
SMILESNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H12ClN3O2/c15-10-6-3-5-9(12(10)16)14(20)18-11-7-2-1-4-8(11)13(17)19/h1-7H,16H2,(H2,17,19)(H,18,20)
InChIKeyFLWKNXDCHLAIPC-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide

2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide (PubChem CID 80503937) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
PubChem CID80503937
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
SMILESNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H12ClN3O2/c15-10-6-3-5-9(12(10)16)14(20)18-11-7-2-1-4-8(11)13(17)19/h1-7H,16H2,(H2,17,19)(H,18,20)
InChIKeyFLWKNXDCHLAIPC-UHFFFAOYSA-N
XLogP2.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-benzamidobenzamide
CID 702115
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide (CID 80503937) is 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide is NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide?
The InChIKey is FLWKNXDCHLAIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-6-3-5-9(12(10)16)14(20)18-11-7-2-1-4-8(11)13(17)19/h1-7H,16H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide?
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide has a molecular weight of 289.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 80503937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).