3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid

C20H14Cl2N2O3 — CID 162644964

IUPAC3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2Cl)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-17-6-2-5-16(18(17)22)12-7-9-14(10-8-12)23-20(27)24-15-4-1-3-13(11-15)19(25)26/h1-11H,(H,25,26)(H2,23,24,27)
InChIKeyGFQMFLFEBXVVBG-UHFFFAOYSA-N
MW401.25 g/mol
LogP6.00
Rot. Bonds4

About 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid

3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid (PubChem CID 162644964) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid
PubChem CID162644964
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2Cl)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-17-6-2-5-16(18(17)22)12-7-9-14(10-8-12)23-20(27)24-15-4-1-3-13(11-15)19(25)26/h1-11H,(H,25,26)(H2,23,24,27)
InChIKeyGFQMFLFEBXVVBG-UHFFFAOYSA-N
XLogP6.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]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 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid?
The IUPAC name of 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid (CID 162644964) is 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid?
The canonical SMILES for 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid is O=C(Nc1ccc(-c2cccc(Cl)c2Cl)cc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid?
The InChIKey is GFQMFLFEBXVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-17-6-2-5-16(18(17)22)12-7-9-14(10-8-12)23-20(27)24-15-4-1-3-13(11-15)19(25)26/h1-11H,(H,25,26)(H2,23,24,27).
What are the key properties of 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid?
3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid has a molecular weight of 401.25 g/mol, XLogP of 6.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dichlorophenyl)phenyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 162644964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).