4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide

C16H14N4O2 — CID 2994455

IUPAC4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-20-11-17-18-12-20)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21)
InChIKeyYYYDWQFFNCCXDI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.24
Rot. Bonds5

About 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide

4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2994455) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2994455
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-20-11-17-18-12-20)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21)
InChIKeyYYYDWQFFNCCXDI-UHFFFAOYSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 2994455) is 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is YYYDWQFFNCCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(19-20-11-17-18-12-20)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21).
What are the key properties of 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide?
4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).