4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid

C16H15NO4 — CID 61028664

IUPAC4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-4-2-3-11(9-14)10-17-15(18)12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyWPCZSHKNDDBUST-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.32
Rot. Bonds5

About 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid

4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid (PubChem CID 61028664) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
PubChem CID61028664
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-4-2-3-11(9-14)10-17-15(18)12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyWPCZSHKNDDBUST-UHFFFAOYSA-N
XLogP2.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid (CID 61028664) is 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid is COc1cccc(CNC(=O)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The InChIKey is WPCZSHKNDDBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-14-4-2-3-11(9-14)10-17-15(18)12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 61028664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).