2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid

C15H10Cl2FNO3 — CID 157035672

IUPAC2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1cccc(F)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H10Cl2FNO3/c16-11-5-9(6-12(17)13(11)15(21)22)14(20)19-7-8-2-1-3-10(18)4-8/h1-6H,7H2,(H,19,20)(H,21,22)
InChIKeySILGDCVWPRFTRV-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.76
Rot. Bonds4

About 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid

2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 157035672) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid
PubChem CID157035672
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1cccc(F)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H10Cl2FNO3/c16-11-5-9(6-12(17)13(11)15(21)22)14(20)19-7-8-2-1-3-10(18)4-8/h1-6H,7H2,(H,19,20)(H,21,22)
InChIKeySILGDCVWPRFTRV-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]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 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid (CID 157035672) is 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid is O=C(NCc1cccc(F)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is SILGDCVWPRFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-11-5-9(6-12(17)13(11)15(21)22)14(20)19-7-8-2-1-3-10(18)4-8/h1-6H,7H2,(H,19,20)(H,21,22).
What are the key properties of 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid?
2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid has a molecular weight of 342.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3-fluorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 157035672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).