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

C17H15FN4O — CID 77078604

IUPAC4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)n[nH]1
InChIInChI=1S/C17H15FN4O/c1-11-20-16(22-21-11)10-19-17(23)13-7-5-12(6-8-13)14-3-2-4-15(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyNRZGTAIIBRXYCL-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.85
Rot. Bonds4

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

4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 77078604) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID77078604
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)n[nH]1
InChIInChI=1S/C17H15FN4O/c1-11-20-16(22-21-11)10-19-17(23)13-7-5-12(6-8-13)14-3-2-4-15(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyNRZGTAIIBRXYCL-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (CID 77078604) is 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)n[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is NRZGTAIIBRXYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-20-16(22-21-11)10-19-17(23)13-7-5-12(6-8-13)14-3-2-4-15(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 310.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 77078604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).