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

C24H16Cl2F3N3O — CID 59631632

IUPACN-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H16Cl2F3N3O/c1-14-17(25)6-4-7-19(14)30-23(33)16-11-9-15(10-12-16)21-13-22(24(27,28)29)31-32(21)20-8-3-2-5-18(20)26/h2-13H,1H3,(H,30,33)
InChIKeyUXVBQZJALIFVNC-UHFFFAOYSA-N
MW490.31 g/mol
LogP7.43
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631632) has the molecular formula C24H16Cl2F3N3O and a molecular weight of 490.31 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631632
Molecular FormulaC24H16Cl2F3N3O
Molecular Weight490.31 g/mol
Exact Mass489.06
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H16Cl2F3N3O/c1-14-17(25)6-4-7-19(14)30-23(33)16-11-9-15(10-12-16)21-13-22(24(27,28)29)31-32(21)20-8-3-2-5-18(20)26/h2-13H,1H3,(H,30,33)
InChIKeyUXVBQZJALIFVNC-UHFFFAOYSA-N
XLogP7.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.31
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631632) is N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is UXVBQZJALIFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O/c1-14-17(25)6-4-7-19(14)30-23(33)16-11-9-15(10-12-16)21-13-22(24(27,28)29)31-32(21)20-8-3-2-5-18(20)26/h2-13H,1H3,(H,30,33).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 490.31 g/mol, XLogP of 7.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).