2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid

C14H8BrCl2NO3 — CID 43805401

IUPAC2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-7-1-3-9(11(17)5-7)13(19)18-12-6-8(16)2-4-10(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJZSOHNMVIOCBGN-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

About 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid

2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid (PubChem CID 43805401) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
PubChem CID43805401
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-7-1-3-9(11(17)5-7)13(19)18-12-6-8(16)2-4-10(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJZSOHNMVIOCBGN-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

4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
CID 63405092
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
N-(4-bromo-2-carbamothioylphenyl)-2,4-dichlorobenzamide
CID 82695357

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid (CID 43805401) is 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The InChIKey is JZSOHNMVIOCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-7-1-3-9(11(17)5-7)13(19)18-12-6-8(16)2-4-10(12)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid?
2-[(4-bromo-2-chlorobenzoyl)amino]-4-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-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 43805401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).