N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide

C17H15ClN4O — CID 67892717

IUPACN-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide
SMILESCC(C(=O)N(c1ccccc1)c1ccc(Cl)cc1)n1ccnn1
InChIInChI=1S/C17H15ClN4O/c1-13(21-12-11-19-20-21)17(23)22(15-5-3-2-4-6-15)16-9-7-14(18)8-10-16/h2-13H,1H3
InChIKeyBZYZJGMLLKCGRI-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.86
Rot. Bonds4

About N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide

N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide (PubChem CID 67892717) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide
PubChem CID67892717
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide
SMILESCC(C(=O)N(c1ccccc1)c1ccc(Cl)cc1)n1ccnn1
InChIInChI=1S/C17H15ClN4O/c1-13(21-12-11-19-20-21)17(23)22(15-5-3-2-4-6-15)16-9-7-14(18)8-10-16/h2-13H,1H3
InChIKeyBZYZJGMLLKCGRI-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide (CID 67892717) is N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide is CC(C(=O)N(c1ccccc1)c1ccc(Cl)cc1)n1ccnn1.
What is the InChIKey of N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide?
The InChIKey is BZYZJGMLLKCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-13(21-12-11-19-20-21)17(23)22(15-5-3-2-4-6-15)16-9-7-14(18)8-10-16/h2-13H,1H3.
What are the key properties of N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide?
N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide has a molecular weight of 326.79 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-phenyl-2-(triazol-1-yl)propanamide is sourced from PubChem (CID 67892717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).