2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid

C22H20N2O3 — CID 138600519

IUPAC2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c25-21(26)14-16-6-8-17(9-7-16)15-23-22(27)24-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,14-15H2,(H,25,26)(H2,23,24,27)
InChIKeyJGINBPKDFJSKCS-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.30
Rot. Bonds6

About 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid

2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid (PubChem CID 138600519) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid
PubChem CID138600519
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c25-21(26)14-16-6-8-17(9-7-16)15-23-22(27)24-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,14-15H2,(H,25,26)(H2,23,24,27)
InChIKeyJGINBPKDFJSKCS-UHFFFAOYSA-N
XLogP4.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic 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-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid (CID 138600519) is 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid?
The InChIKey is JGINBPKDFJSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(26)14-16-6-8-17(9-7-16)15-23-22(27)24-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,14-15H2,(H,25,26)(H2,23,24,27).
What are the key properties of 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid?
2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-phenylphenyl)carbamoylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 138600519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).