5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid

C14H10BrClN2O3 — CID 62074134

IUPAC5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H10BrClN2O3/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,(H,19,20)(H2,17,18,21)
InChIKeyKHFFAPVNPJLDBK-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.44
Rot. Bonds3

About 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid

5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid (PubChem CID 62074134) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
PubChem CID62074134
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H10BrClN2O3/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,(H,19,20)(H2,17,18,21)
InChIKeyKHFFAPVNPJLDBK-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

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Related Compounds

2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
5-bromo-2-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 62073329
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
2-[(2-amino-2-oxoethyl)carbamoylamino]-5-bromobenzoic acid
CID 62075045
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid (CID 62074134) is 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1ccccc1Cl)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is KHFFAPVNPJLDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/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,(H,19,20)(H2,17,18,21).
What are the key properties of 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid?
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic 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 5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62074134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).