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

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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).