2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C24H21FN4O2 — CID 24687673

IUPAC2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-21-11-9-20(10-12-21)15-31-23-4-2-1-3-22(23)24(30)27-13-18-5-7-19(8-6-18)14-29-17-26-16-28-29/h1-12,16-17H,13-15H2,(H,27,30)
InChIKeyYLCCZYXHYDCSPG-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.97
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 24687673) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID24687673
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-21-11-9-20(10-12-21)15-31-23-4-2-1-3-22(23)24(30)27-13-18-5-7-19(8-6-18)14-29-17-26-16-28-29/h1-12,16-17H,13-15H2,(H,27,30)
InChIKeyYLCCZYXHYDCSPG-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 24687673) is 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is YLCCZYXHYDCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-21-11-9-20(10-12-21)15-31-23-4-2-1-3-22(23)24(30)27-13-18-5-7-19(8-6-18)14-29-17-26-16-28-29/h1-12,16-17H,13-15H2,(H,27,30).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24687673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).