2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid

C22H17Cl2NO4 — CID 54592050

IUPAC2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid
SMILESCCOc1cccc(-c2cc(Cl)c(NC(=O)c3ccccc3C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-2-29-15-7-5-6-13(10-15)14-11-18(23)20(19(24)12-14)25-21(26)16-8-3-4-9-17(16)22(27)28/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyIJUKXGUNCZMVLH-UHFFFAOYSA-N
MW430.29 g/mol
LogP6.01
Rot. Bonds6

About 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid

2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid (PubChem CID 54592050) has the molecular formula C22H17Cl2NO4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid
PubChem CID54592050
Molecular FormulaC22H17Cl2NO4
Molecular Weight430.29 g/mol
Exact Mass429.05
IUPAC Name2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid
SMILESCCOc1cccc(-c2cc(Cl)c(NC(=O)c3ccccc3C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-2-29-15-7-5-6-13(10-15)14-11-18(23)20(19(24)12-14)25-21(26)16-8-3-4-9-17(16)22(27)28/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyIJUKXGUNCZMVLH-UHFFFAOYSA-N
XLogP6.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]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

Related Compounds

3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-(propanoylamino)benzoic acid
CID 10028359
3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-(2-methylpropanoylamino)benzoic acid
CID 10413628
3-Acetamido-5-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
CID 11754541
5-Chloro-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 91970411
3-(Butanoylamino)-5-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
CID 10051678
2-{[4-(3-Methylphenoxy)phenyl]carbamoyl}benzoic acid
CID 782192
3-(4-Chlorophenyl)-5-[(3-phenoxybenzoyl)amino]benzoic acid
CID 171782847
(4-{[(5-{[(3-Chlorophenyl)methyl]oxy}-2-methylphenyl)carbonyl]amino}-3-methylphenyl)acetic acid
CID 24816434
4,5-Dichloro-2-[(4-phenoxyphenyl)carbamoyl]benzoic acid
CID 1249259
N-(2-chlorophenyl)-3-phenylmethoxybenzamide
CID 807381
3-[[3-[(2,6-Dichlorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 177665522
2-[(2,4-Dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid
CID 10159755

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid (CID 54592050) is 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid is CCOc1cccc(-c2cc(Cl)c(NC(=O)c3ccccc3C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is IJUKXGUNCZMVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4/c1-2-29-15-7-5-6-13(10-15)14-11-18(23)20(19(24)12-14)25-21(26)16-8-3-4-9-17(16)22(27)28/h3-12H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid?
2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 430.29 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-4-(3-ethoxyphenyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 54592050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).