2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid

C24H22ClNO4 — CID 24816434

IUPAC2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1C
InChIInChI=1S/C24H22ClNO4/c1-15-6-8-20(30-14-18-4-3-5-19(25)11-18)13-21(15)24(29)26-22-9-7-17(10-16(22)2)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIKSUABKMJZDCNQ-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.42
Rot. Bonds7

About 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid

2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid (PubChem CID 24816434) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid
PubChem CID24816434
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1C
InChIInChI=1S/C24H22ClNO4/c1-15-6-8-20(30-14-18-4-3-5-19(25)11-18)13-21(15)24(29)26-22-9-7-17(10-16(22)2)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIKSUABKMJZDCNQ-UHFFFAOYSA-N
XLogP5.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-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-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid (CID 24816434) is 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1C.
What is the InChIKey of 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid?
The InChIKey is IKSUABKMJZDCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-15-6-8-20(30-14-18-4-3-5-19(25)11-18)13-21(15)24(29)26-22-9-7-17(10-16(22)2)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid?
2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid has a molecular weight of 423.90 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid is sourced from PubChem (CID 24816434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).