N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide

C11H12ClN5O — CID 16783732

IUPACN-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)n1cncn1
InChIInChI=1S/C11H12ClN5O/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(12)4-9(10)13/h2-7H,13H2,1H3,(H,16,18)
InChIKeyUUPHJLKWTNEWHA-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.71
Rot. Bonds3

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

N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16783732) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID16783732
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)n1cncn1
InChIInChI=1S/C11H12ClN5O/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(12)4-9(10)13/h2-7H,13H2,1H3,(H,16,18)
InChIKeyUUPHJLKWTNEWHA-UHFFFAOYSA-N
XLogP1.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide 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

N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75517942
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
2-(4-chlorophenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 46402676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 16783732) is N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1N)n1cncn1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UUPHJLKWTNEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(12)4-9(10)13/h2-7H,13H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16783732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).