2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide

C13H15ClN4O — CID 126828995

IUPAC2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
SMILESCc1n[nH]nc1NC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8-11(17-18-16-8)15-12(19)13(2,3)9-5-4-6-10(14)7-9/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyMICSQMYBNKNDPG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide

2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide (PubChem CID 126828995) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
PubChem CID126828995
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
SMILESCc1n[nH]nc1NC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8-11(17-18-16-8)15-12(19)13(2,3)9-5-4-6-10(14)7-9/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyMICSQMYBNKNDPG-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
CID 167921792
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438653
2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
CID 167931960
N-(5-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438675
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
2-(3-chlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 110464819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide (CID 126828995) is 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide is Cc1n[nH]nc1NC(=O)C(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide?
The InChIKey is MICSQMYBNKNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-11(17-18-16-8)15-12(19)13(2,3)9-5-4-6-10(14)7-9/h4-7H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide?
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide is sourced from PubChem (CID 126828995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).