4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid

C17H17NO3 — CID 10379087

IUPAC4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid
SMILESCC(C)c1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-11(2)14-4-3-5-15(10-14)18-16(19)12-6-8-13(9-7-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyGTUXJWHMZLCKMG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.76
Rot. Bonds4

About 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid

4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid (PubChem CID 10379087) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid
PubChem CID10379087
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid
SMILESCC(C)c1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-11(2)14-4-3-5-15(10-14)18-16(19)12-6-8-13(9-7-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyGTUXJWHMZLCKMG-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3-propan-2-ylphenyl)carbamoyl]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 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid (CID 10379087) is 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid is CC(C)c1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid?
The InChIKey is GTUXJWHMZLCKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(2)14-4-3-5-15(10-14)18-16(19)12-6-8-13(9-7-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid?
4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 10379087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).