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

C13H10FN5O2 — CID 42534396

IUPAC5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccco1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C13H10FN5O2/c14-9-3-4-12(19-8-16-17-18-19)11(6-9)13(20)15-7-10-2-1-5-21-10/h1-6,8H,7H2,(H,15,20)
InChIKeyGYKQJPYEGSMZHW-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.32
Rot. Bonds4

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

5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42534396) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID42534396
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccco1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C13H10FN5O2/c14-9-3-4-12(19-8-16-17-18-19)11(6-9)13(20)15-7-10-2-1-5-21-10/h1-6,8H,7H2,(H,15,20)
InChIKeyGYKQJPYEGSMZHW-UHFFFAOYSA-N
XLogP1.32
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
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
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 42580732

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide (CID 42534396) is 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccco1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is GYKQJPYEGSMZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c14-9-3-4-12(19-8-16-17-18-19)11(6-9)13(20)15-7-10-2-1-5-21-10/h1-6,8H,7H2,(H,15,20).
What are the key properties of 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 287.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42534396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).