5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide

C15H13FN6O — CID 71707777

IUPAC5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H13FN6O/c16-11-4-5-14(22-10-19-20-21-22)13(9-11)15(23)18-8-6-12-3-1-2-7-17-12/h1-5,7,9-10H,6,8H2,(H,18,23)
InChIKeyCQSRXJFUJKPJID-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.17
Rot. Bonds5

About 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide

5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 71707777) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID71707777
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H13FN6O/c16-11-4-5-14(22-10-19-20-21-22)13(9-11)15(23)18-8-6-12-3-1-2-7-17-12/h1-5,7,9-10H,6,8H2,(H,18,23)
InChIKeyCQSRXJFUJKPJID-UHFFFAOYSA-N
XLogP1.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42534396
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide (CID 71707777) is 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCCc1ccccn1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is CQSRXJFUJKPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-11-4-5-14(22-10-19-20-21-22)13(9-11)15(23)18-8-6-12-3-1-2-7-17-12/h1-5,7,9-10H,6,8H2,(H,18,23).
What are the key properties of 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 312.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 71707777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).