N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

C16H13ClN4O — CID 53168665

IUPACN-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-6-8-13(9-7-12)18-15(22)10-14-19-16(21-20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyVUHIUFNRUUDYCM-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.31
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168665) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168665
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-6-8-13(9-7-12)18-15(22)10-14-19-16(21-20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyVUHIUFNRUUDYCM-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(2-chloro-6-fluorophenyl)methylamino]-1H-1,2,4-triazol-5-yl]phenyl]prop-2-enamide
CID 130429248
2-[4-amino-5-(2-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-chlorophenyl)aceta mide
CID 662764
N-(3-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 684784
N-(2-chlorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 975058
2-[[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 127044745
2-[[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 127044746
5-benzyl-N-[(3S)-7-chloro-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 155512860
US11718612, Example 9
CID 156138078
2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1517219
N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168666
US11718612, Example 21
CID 156146557
2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide
CID 1051712

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168665) is N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is VUHIUFNRUUDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-6-8-13(9-7-12)18-15(22)10-14-19-16(21-20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 312.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).