2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C18H14ClF3N4O — CID 169091204

IUPAC2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClF3N4O/c1-26-16(10-15(25-26)18(20,21)22)24-17(27)13-7-2-3-8-14(13)23-12-6-4-5-11(19)9-12/h2-10,23H,1H3,(H,24,27)
InChIKeyKFWKXTLGTIBMGG-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.09
Rot. Bonds4

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

2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 169091204) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID169091204
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClF3N4O/c1-26-16(10-15(25-26)18(20,21)22)24-17(27)13-7-2-3-8-14(13)23-12-6-4-5-11(19)9-12/h2-10,23H,1H3,(H,24,27)
InChIKeyKFWKXTLGTIBMGG-UHFFFAOYSA-N
XLogP5.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 136983718
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
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3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521595
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 169091204) is 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is KFWKXTLGTIBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-26-16(10-15(25-26)18(20,21)22)24-17(27)13-7-2-3-8-14(13)23-12-6-4-5-11(19)9-12/h2-10,23H,1H3,(H,24,27).
What are the key properties of 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 394.78 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 169091204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).