2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid

C14H12ClN3O3 — CID 61404300

IUPAC2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
SMILESNc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClN3O3/c15-8-5-6-11(9(7-8)13(19)20)17-14(21)18-12-4-2-1-3-10(12)16/h1-7H,16H2,(H,19,20)(H2,17,18,21)
InChIKeyFQCLLKJYCVIILU-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.26
Rot. Bonds3

About 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid

2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid (PubChem CID 61404300) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
PubChem CID61404300
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
SMILESNc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClN3O3/c15-8-5-6-11(9(7-8)13(19)20)17-14(21)18-12-4-2-1-3-10(12)16/h1-7H,16H2,(H,19,20)(H2,17,18,21)
InChIKeyFQCLLKJYCVIILU-UHFFFAOYSA-N
XLogP3.26
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
5-chloro-2-(1-phenylethylcarbamoylamino)benzoic acid
CID 23444449
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 61202417
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid (CID 61404300) is 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid is Nc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid?
The InChIKey is FQCLLKJYCVIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-8-5-6-11(9(7-8)13(19)20)17-14(21)18-12-4-2-1-3-10(12)16/h1-7H,16H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid?
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid is sourced from PubChem (CID 61404300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).