2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid

C21H17NO4 — CID 951257

IUPAC2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO4/c1-26-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyYGYVVBIUHRODRB-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.31
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 951257) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID951257
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO4/c1-26-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyYGYVVBIUHRODRB-UHFFFAOYSA-N
XLogP4.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid (CID 951257) is 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid is COc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is YGYVVBIUHRODRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-26-15-12-10-14(11-13-15)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 951257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).