2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid

C15H11BrClNO4 — CID 1231034

IUPAC2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11BrClNO4/c1-22-13-5-2-8(16)6-11(13)14(19)18-12-7-9(17)3-4-10(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDJLHBOHYLKYDRO-UHFFFAOYSA-N
MW384.61 g/mol
LogP4.06
Rot. Bonds4

About 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid

2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid (PubChem CID 1231034) has the molecular formula C15H11BrClNO4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
PubChem CID1231034
Molecular FormulaC15H11BrClNO4
Molecular Weight384.61 g/mol
Exact Mass382.96
IUPAC Name2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11BrClNO4/c1-22-13-5-2-8(16)6-11(13)14(19)18-12-7-9(17)3-4-10(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDJLHBOHYLKYDRO-UHFFFAOYSA-N
XLogP4.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid
CID 1304122
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 43914598
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid (CID 1231034) is 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid is COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid?
The InChIKey is DJLHBOHYLKYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO4/c1-22-13-5-2-8(16)6-11(13)14(19)18-12-7-9(17)3-4-10(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid?
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid has a molecular weight of 384.61 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 1231034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).