N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide

C19H19ClN4O — CID 155947206

IUPACN-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-2-12-23(17-10-8-15(20)9-11-17)19(25)13-16-14-21-24(22-16)18-6-4-3-5-7-18/h3-11,14H,2,12-13H2,1H3
InChIKeyAMSXNPIUKJIIFW-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.91
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide

N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide (PubChem CID 155947206) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide
PubChem CID155947206
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-2-12-23(17-10-8-15(20)9-11-17)19(25)13-16-14-21-24(22-16)18-6-4-3-5-7-18/h3-11,14H,2,12-13H2,1H3
InChIKeyAMSXNPIUKJIIFW-UHFFFAOYSA-N
XLogP3.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-But-3-enyl-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]azetidin-2-one
CID 177650557
N,1-bis(4-chlorophenyl)-N-methyltriazole-4-carboxamide
CID 176162830
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 138051933
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-phenyltriazol-4-yl)acetamide
CID 138996659
1-[4-(2,6-Difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone
CID 155951996
N-(4-chloro-3-fluorophenyl)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]prop-2-enamide
CID 167942650
(4-(4-chlorophenyl)piperazin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
CID 49712629
N-butyl-N,2-diphenyltriazole-4-carboxamide
CID 8894037
N-ethyl-N,2-diphenyltriazole-4-carboxamide
CID 18190782
N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide
CID 67892717
2-[[3-(4-Chlorophenyl)-5-methyltriazol-4-yl]methyl]-5-(dimethylamino)pyridazin-3-one
CID 157046508
[4-(2-Chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 16359205

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide (CID 155947206) is N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide is CCCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide?
The InChIKey is AMSXNPIUKJIIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-12-23(17-10-8-15(20)9-11-17)19(25)13-16-14-21-24(22-16)18-6-4-3-5-7-18/h3-11,14H,2,12-13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide?
N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide has a molecular weight of 354.84 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 155947206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).