2-(N-(3-methoxybenzoyl)anilino)acetic acid

C16H15NO4 — CID 28765030

IUPAC2-(N-(3-methoxybenzoyl)anilino)acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-9-5-6-12(10-14)16(20)17(11-15(18)19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyVQZKNNPNUOPLHL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.43
Rot. Bonds5

About 2-(N-(3-methoxybenzoyl)anilino)acetic acid

2-(N-(3-methoxybenzoyl)anilino)acetic acid (PubChem CID 28765030) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(N-(3-methoxybenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methoxybenzoyl)anilino)acetic acid
PubChem CID28765030
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(N-(3-methoxybenzoyl)anilino)acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-9-5-6-12(10-14)16(20)17(11-15(18)19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyVQZKNNPNUOPLHL-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methoxybenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-methoxybenzoyl)anilino)acetic acid (CID 28765030) is 2-(N-(3-methoxybenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methoxybenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-methoxybenzoyl)anilino)acetic acid is COc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(N-(3-methoxybenzoyl)anilino)acetic acid?
The InChIKey is VQZKNNPNUOPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-14-9-5-6-12(10-14)16(20)17(11-15(18)19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 2-(N-(3-methoxybenzoyl)anilino)acetic acid?
2-(N-(3-methoxybenzoyl)anilino)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methoxybenzoyl)anilino)acetic acid is sourced from PubChem (CID 28765030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).