5-[(3-aminobenzoyl)amino]-2-chlorobenzamide

C14H12ClN3O2 — CID 43707245

IUPAC5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(N)c2)ccc1Cl
InChIInChI=1S/C14H12ClN3O2/c15-12-5-4-10(7-11(12)13(17)19)18-14(20)8-2-1-3-9(16)6-8/h1-7H,16H2,(H2,17,19)(H,18,20)
InChIKeyNHQCDHAAQUZRHZ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.27
Rot. Bonds3

About 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide

5-[(3-aminobenzoyl)amino]-2-chlorobenzamide (PubChem CID 43707245) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
PubChem CID43707245
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(N)c2)ccc1Cl
InChIInChI=1S/C14H12ClN3O2/c15-12-5-4-10(7-11(12)13(17)19)18-14(20)8-2-1-3-9(16)6-8/h1-7H,16H2,(H2,17,19)(H,18,20)
InChIKeyNHQCDHAAQUZRHZ-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

4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
CID 103869169
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-chloro-5-[(3-methylbenzoyl)amino]benzamide
CID 131990534
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide?
The IUPAC name of 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide (CID 43707245) is 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide?
The canonical SMILES for 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide is NC(=O)c1cc(NC(=O)c2cccc(N)c2)ccc1Cl.
What is the InChIKey of 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide?
The InChIKey is NHQCDHAAQUZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-5-4-10(7-11(12)13(17)19)18-14(20)8-2-1-3-9(16)6-8/h1-7H,16H2,(H2,17,19)(H,18,20).
What are the key properties of 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide?
5-[(3-aminobenzoyl)amino]-2-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 5-[(3-aminobenzoyl)amino]-2-chlorobenzamide is sourced from PubChem (CID 43707245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).