4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid

C17H15Cl2NO4 — CID 51035074

IUPAC4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid
SMILESCC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)24-15-13(18)7-11(8-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyQYKQJKMDSDBOCB-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.73
Rot. Bonds5

About 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid

4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid (PubChem CID 51035074) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid
PubChem CID51035074
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid
SMILESCC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)24-15-13(18)7-11(8-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyQYKQJKMDSDBOCB-UHFFFAOYSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]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-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid (CID 51035074) is 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid is CC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl.
What is the InChIKey of 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid?
The InChIKey is QYKQJKMDSDBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-9(2)24-15-13(18)7-11(8-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-9H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid?
4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-propan-2-yloxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 51035074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).