5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide

C14H11FN6O — CID 42535796

IUPAC5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccncc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C14H11FN6O/c15-11-1-2-13(21-9-18-19-20-21)12(7-11)14(22)17-8-10-3-5-16-6-4-10/h1-7,9H,8H2,(H,17,22)
InChIKeyPTYUQLYWMZBXSP-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.13
Rot. Bonds4

About 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide

5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42535796) has the molecular formula C14H11FN6O and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID42535796
Molecular FormulaC14H11FN6O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccncc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C14H11FN6O/c15-11-1-2-13(21-9-18-19-20-21)12(7-11)14(22)17-8-10-3-5-16-6-4-10/h1-7,9H,8H2,(H,17,22)
InChIKeyPTYUQLYWMZBXSP-UHFFFAOYSA-N
XLogP1.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42534396
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 163076007
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide (CID 42535796) is 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccncc1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is PTYUQLYWMZBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O/c15-11-1-2-13(21-9-18-19-20-21)12(7-11)14(22)17-8-10-3-5-16-6-4-10/h1-7,9H,8H2,(H,17,22).
What are the key properties of 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 298.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42535796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).