N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide

C15H12FN5O — CID 70677388

IUPACN-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H12FN5O/c16-13-6-1-3-10(7-13)9-17-15(22)12-5-2-4-11(8-12)14-18-20-21-19-14/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKeyKYWGAXYFSCOJCH-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide

N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 70677388) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide
PubChem CID70677388
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H12FN5O/c16-13-6-1-3-10(7-13)9-17-15(22)12-5-2-4-11(8-12)14-18-20-21-19-14/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKeyKYWGAXYFSCOJCH-UHFFFAOYSA-N
XLogP1.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide (CID 70677388) is N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide is O=C(NCc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KYWGAXYFSCOJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-13-6-1-3-10(7-13)9-17-15(22)12-5-2-4-11(8-12)14-18-20-21-19-14/h1-8H,9H2,(H,17,22)(H,18,19,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide?
N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 70677388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).