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

C18H17ClN4O — CID 46994346

IUPACN-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O/c1-13(24)20-12-11-17-21-18(14-7-3-2-4-8-14)22-23(17)16-10-6-5-9-15(16)19/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyYYXAMMMLASPQHC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.27
Rot. Bonds5

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

N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 46994346) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID46994346
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O/c1-13(24)20-12-11-17-21-18(14-7-3-2-4-8-14)22-23(17)16-10-6-5-9-15(16)19/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyYYXAMMMLASPQHC-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46993845
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119385059
N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46987299
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
2-[2-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 98022813
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
N-[(2R)-1-[2-(2-chlorophenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]propan-2-yl]acetamide
CID 97455346
N-[(2S)-1-[2-(2-chlorophenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]propan-2-yl]acetamide
CID 97455345

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide (CID 46994346) is N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide is CC(=O)NCCc1nc(-c2ccccc2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is YYXAMMMLASPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-13(24)20-12-11-17-21-18(14-7-3-2-4-8-14)22-23(17)16-10-6-5-9-15(16)19/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide?
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 46994346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).