2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid

C23H19Cl2NO4 — CID 10138370

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
SMILESCc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C23H19Cl2NO4/c1-14-3-2-4-15(11-14)9-10-30-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-16(24)12-20(18)25/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29)
InChIKeySOJZZQJHBVTNPN-UHFFFAOYSA-N
MW444.31 g/mol
LogP5.87
Rot. Bonds7

About 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid (PubChem CID 10138370) has the molecular formula C23H19Cl2NO4 and a molecular weight of 444.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
PubChem CID10138370
Molecular FormulaC23H19Cl2NO4
Molecular Weight444.31 g/mol
Exact Mass443.07
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
SMILESCc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C23H19Cl2NO4/c1-14-3-2-4-15(11-14)9-10-30-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-16(24)12-20(18)25/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29)
InChIKeySOJZZQJHBVTNPN-UHFFFAOYSA-N
XLogP5.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.31
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]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

Related Compounds

2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
CID 142203116
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 155451593
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid (CID 10138370) is 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid is Cc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid?
The InChIKey is SOJZZQJHBVTNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4/c1-14-3-2-4-15(11-14)9-10-30-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-16(24)12-20(18)25/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid has a molecular weight of 444.31 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid is sourced from PubChem (CID 10138370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).