2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid

C16H15FN2O3 — CID 23512112

IUPAC2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-10-8-11(9-15(20)21)6-7-13(10)18-16(22)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeySOHROWRMLYHKAI-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid

2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid (PubChem CID 23512112) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid
PubChem CID23512112
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-10-8-11(9-15(20)21)6-7-13(10)18-16(22)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeySOHROWRMLYHKAI-UHFFFAOYSA-N
XLogP3.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]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-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid (CID 23512112) is 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid?
The InChIKey is SOHROWRMLYHKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-8-11(9-15(20)21)6-7-13(10)18-16(22)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid?
2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid has a molecular weight of 302.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]acetic acid is sourced from PubChem (CID 23512112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).