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

C24H16Cl2F3N3O2 — CID 59631969

IUPACN-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1Cl
InChIInChI=1S/C24H16Cl2F3N3O2/c1-34-21-11-10-16(12-18(21)26)30-23(33)15-8-6-14(7-9-15)20-13-22(24(27,28)29)31-32(20)19-5-3-2-4-17(19)25/h2-13H,1H3,(H,30,33)
InChIKeyZVPHBPOONFPZDT-UHFFFAOYSA-N
MW506.31 g/mol
LogP7.13
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631969) has the molecular formula C24H16Cl2F3N3O2 and a molecular weight of 506.31 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631969
Molecular FormulaC24H16Cl2F3N3O2
Molecular Weight506.31 g/mol
Exact Mass505.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1Cl
InChIInChI=1S/C24H16Cl2F3N3O2/c1-34-21-11-10-16(12-18(21)26)30-23(33)15-8-6-14(7-9-15)20-13-22(24(27,28)29)31-32(20)19-5-3-2-4-17(19)25/h2-13H,1H3,(H,30,33)
InChIKeyZVPHBPOONFPZDT-UHFFFAOYSA-N
XLogP7.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.31
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631969) is N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is ZVPHBPOONFPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O2/c1-34-21-11-10-16(12-18(21)26)30-23(33)15-8-6-14(7-9-15)20-13-22(24(27,28)29)31-32(20)19-5-3-2-4-17(19)25/h2-13H,1H3,(H,30,33).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 506.31 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).