4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid

C16H14BrNO4 — CID 28671790

IUPAC4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H14BrNO4/c1-9-7-10(16(20)21)3-5-13(9)18-15(19)12-8-11(17)4-6-14(12)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKWIJZMJKMKSWAH-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.72
Rot. Bonds4

About 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid

4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid (PubChem CID 28671790) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
PubChem CID28671790
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H14BrNO4/c1-9-7-10(16(20)21)3-5-13(9)18-15(19)12-8-11(17)4-6-14(12)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKWIJZMJKMKSWAH-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3-methylbenzoic acid
CID 28687751
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid (CID 28671790) is 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid is COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is KWIJZMJKMKSWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-9-7-10(16(20)21)3-5-13(9)18-15(19)12-8-11(17)4-6-14(12)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid?
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 364.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 28671790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).