N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C23H14Cl2F3N3O — CID 59631627

IUPACN-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-16-5-1-3-7-18(16)29-22(32)15-11-9-14(10-12-15)20-13-21(23(26,27)28)30-31(20)19-8-4-2-6-17(19)25/h1-13H,(H,29,32)
InChIKeyBKQZSCGRLJUIKG-UHFFFAOYSA-N
MW476.29 g/mol
LogP7.12
Rot. Bonds4

About N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631627) has the molecular formula C23H14Cl2F3N3O and a molecular weight of 476.29 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631627
Molecular FormulaC23H14Cl2F3N3O
Molecular Weight476.29 g/mol
Exact Mass475.05
IUPAC NameN-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-16-5-1-3-7-18(16)29-22(32)15-11-9-14(10-12-15)20-13-21(23(26,27)28)30-31(20)19-8-4-2-6-17(19)25/h1-13H,(H,29,32)
InChIKeyBKQZSCGRLJUIKG-UHFFFAOYSA-N
XLogP7.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.29
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide 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 N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631627) is N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is O=C(Nc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is BKQZSCGRLJUIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O/c24-16-5-1-3-7-18(16)29-22(32)15-11-9-14(10-12-15)20-13-21(23(26,27)28)30-31(20)19-8-4-2-6-17(19)25/h1-13H,(H,29,32).
What are the key properties of N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 476.29 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).