2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid

C16H14BrNO4 — CID 17341898

IUPAC2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Br
InChIInChI=1S/C16H14BrNO4/c1-22-14-7-4-11(9-13(14)17)16(21)18-12-5-2-10(3-6-12)8-15(19)20/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyWFLLJQCQXLZDFP-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid

2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid (PubChem CID 17341898) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
PubChem CID17341898
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Br
InChIInChI=1S/C16H14BrNO4/c1-22-14-7-4-11(9-13(14)17)16(21)18-12-5-2-10(3-6-12)8-15(19)20/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyWFLLJQCQXLZDFP-UHFFFAOYSA-N
XLogP3.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 5119214
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid (CID 17341898) is 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid is COc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Br.
What is the InChIKey of 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is WFLLJQCQXLZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-22-14-7-4-11(9-13(14)17)16(21)18-12-5-2-10(3-6-12)8-15(19)20/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid?
2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid has a molecular weight of 364.20 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 17341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).