2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid

C14H8BrCl2NO3 — CID 107046721

IUPAC2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyQAFHKFXHFYRMBK-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

About 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid

2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid (PubChem CID 107046721) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
PubChem CID107046721
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyQAFHKFXHFYRMBK-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171469

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid (CID 107046721) is 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid?
The InChIKey is QAFHKFXHFYRMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid?
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid has a molecular weight of 389.03 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid is sourced from PubChem (CID 107046721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).