N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide

C15H12FN5O — CID 712035

IUPACN-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C15H12FN5O/c16-13-5-7-14(8-6-13)18-15(22)12-3-1-11(2-4-12)9-21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyHRKJVHVQVRFYNJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.11
Rot. Bonds4

About N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide

N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 712035) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID712035
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C15H12FN5O/c16-13-5-7-14(8-6-13)18-15(22)12-3-1-11(2-4-12)9-21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyHRKJVHVQVRFYNJ-UHFFFAOYSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide (CID 712035) is N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is HRKJVHVQVRFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-13-5-7-14(8-6-13)18-15(22)12-3-1-11(2-4-12)9-21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22).
What are the key properties of N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide?
N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 712035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).