3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

C16H13FN4O2 — CID 30865619

IUPAC3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN4O2/c17-13-6-4-11(5-7-13)9-23-14-3-1-2-12(8-14)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22)
InChIKeyQIPNFDGYPCBGFC-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.78
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30865619) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30865619
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN4O2/c17-13-6-4-11(5-7-13)9-23-14-3-1-2-12(8-14)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22)
InChIKeyQIPNFDGYPCBGFC-UHFFFAOYSA-N
XLogP2.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30865619) is 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is QIPNFDGYPCBGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-13-6-4-11(5-7-13)9-23-14-3-1-2-12(8-14)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 312.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30865619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).