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

C19H16ClF3N4O — CID 169091173

IUPAC2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1cc(Cl)ccc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C19H16ClF3N4O/c1-11-9-12(20)7-8-14(11)24-15-6-4-3-5-13(15)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28)
InChIKeyORROTRYTVHDYJD-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.40
Rot. Bonds4

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

2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 169091173) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID169091173
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1cc(Cl)ccc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C19H16ClF3N4O/c1-11-9-12(20)7-8-14(11)24-15-6-4-3-5-13(15)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28)
InChIKeyORROTRYTVHDYJD-UHFFFAOYSA-N
XLogP5.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
2-chloro-N-[2-methoxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 67468607
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795
N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
CID 139759857
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 169091173) is 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cc1cc(Cl)ccc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is ORROTRYTVHDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-11-9-12(20)7-8-14(11)24-15-6-4-3-5-13(15)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 408.81 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 169091173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).