4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide

C17H16ClF3N4O — CID 126773701

IUPAC4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N4O/c18-13-6-3-10(7-12(13)17(19,20)21)16(26)22-8-14-23-24-15(9-1-2-9)25(14)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,22,26)
InChIKeyTZKJQNSYMZUISO-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.09
Rot. Bonds5

About 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 126773701) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID126773701
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC Name4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N4O/c18-13-6-3-10(7-12(13)17(19,20)21)16(26)22-8-14-23-24-15(9-1-2-9)25(14)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,22,26)
InChIKeyTZKJQNSYMZUISO-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 126779844
5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 86795852
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
CID 75524132
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-4-methylbenzamide
CID 75509318
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27628739
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
3-chloro-4-(2-cyanophenoxy)-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 166211442
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[[3-amino-2-(aminomethyl)-6-cyclopropylphenyl]methyl]-3-chloro-4-(trifluoromethyl)benzamide
CID 146642785
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxopropanoic acid
CID 56616467
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 23474020
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 126773701) is 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is TZKJQNSYMZUISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-13-6-3-10(7-12(13)17(19,20)21)16(26)22-8-14-23-24-15(9-1-2-9)25(14)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,22,26).
What are the key properties of 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 384.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126773701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).