N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide

C13H15ClN4O — CID 56793654

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C13H15ClN4O/c1-9(7-10-3-5-11(14)6-4-10)18(2)13(19)12-8-15-17-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyKIHBYRBCNNKNFM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide

N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 56793654) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
PubChem CID56793654
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C13H15ClN4O/c1-9(7-10-3-5-11(14)6-4-10)18(2)13(19)12-8-15-17-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyKIHBYRBCNNKNFM-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide 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

3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
CID 142981512
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
CID 99793411
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2H-triazole-4-carboxamide
CID 95782733

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide (CID 56793654) is N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide is CC(Cc1ccc(Cl)cc1)N(C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is KIHBYRBCNNKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(7-10-3-5-11(14)6-4-10)18(2)13(19)12-8-15-17-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide?
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 56793654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).