4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid

C14H10BrClN2O3 — CID 61398747

IUPAC4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)Nc1ccccc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-10-3-1-2-4-12(10)18-14(21)17-8-5-6-9(13(19)20)11(16)7-8/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyYDZLMPGMPZTBKJ-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.44
Rot. Bonds3

About 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid

4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid (PubChem CID 61398747) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
PubChem CID61398747
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)Nc1ccccc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-10-3-1-2-4-12(10)18-14(21)17-8-5-6-9(13(19)20)11(16)7-8/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyYDZLMPGMPZTBKJ-UHFFFAOYSA-N
XLogP4.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
2-chloro-4-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61398725
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid?
The IUPAC name of 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid (CID 61398747) is 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)Nc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid?
The InChIKey is YDZLMPGMPZTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-10-3-1-2-4-12(10)18-14(21)17-8-5-6-9(13(19)20)11(16)7-8/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid?
4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid has a molecular weight of 369.60 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid is sourced from PubChem (CID 61398747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).