1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C19H16ClF3N4O — CID 16652149

IUPAC1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N4O/c1-11(2)17-16(25-26-27(17)13-9-7-12(20)8-10-13)18(28)24-15-6-4-3-5-14(15)19(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyZRVYGOKBDUWHAW-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.32
Rot. Bonds4

About 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 16652149) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID16652149
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N4O/c1-11(2)17-16(25-26-27(17)13-9-7-12(20)8-10-13)18(28)24-15-6-4-3-5-14(15)19(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyZRVYGOKBDUWHAW-UHFFFAOYSA-N
XLogP5.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652084
4-[[1-(4-chlorophenyl)-5-propan-2-yltriazole-4-carbonyl]amino]benzoic acid
CID 16652113
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
[1-(4-chlorophenyl)-5-(trifluoromethyl)triazol-4-yl]-phenylmethanone
CID 91926658
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 146075463
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
4-nitro-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 16652149) is 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is ZRVYGOKBDUWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-11(2)17-16(25-26-27(17)13-9-7-12(20)8-10-13)18(28)24-15-6-4-3-5-14(15)19(21,22)23/h3-11H,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 408.81 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 16652149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).