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

C16H13ClN4O — CID 53168677

IUPACN-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyFYPCMSCXMCEUTO-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.31
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168677) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168677
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyFYPCMSCXMCEUTO-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168677) is N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is FYPCMSCXMCEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-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-(3-chlorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).