4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid

C16H14BrNO4 — CID 28674729

IUPAC4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14BrNO4/c1-9-7-11(17)8-13(14(9)22-2)15(19)18-12-5-3-10(4-6-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPAKJYDDJPVUPS-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.72
Rot. Bonds4

About 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid

4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid (PubChem CID 28674729) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
PubChem CID28674729
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14BrNO4/c1-9-7-11(17)8-13(14(9)22-2)15(19)18-12-5-3-10(4-6-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPAKJYDDJPVUPS-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

N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid (CID 28674729) is 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is NPAKJYDDJPVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-9-7-11(17)8-13(14(9)22-2)15(19)18-12-5-3-10(4-6-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid?
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic 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-methoxy-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 28674729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).