N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

C15H19ClN4O — CID 46969447

IUPACN-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)NCCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-11-18-12(2)20(19-11)10-15(21)17-9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyUFQIOCAIADUOJE-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.30
Rot. Bonds6

About N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 46969447) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
PubChem CID46969447
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)NCCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-11-18-12(2)20(19-11)10-15(21)17-9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyUFQIOCAIADUOJE-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 70997075
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884640

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (CID 46969447) is N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is Cc1nc(C)n(CC(=O)NCCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is UFQIOCAIADUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-18-12(2)20(19-11)10-15(21)17-9-3-4-13-5-7-14(16)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 46969447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).