5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide

C16H14FN5O — CID 42534608

IUPAC5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H14FN5O/c17-13-6-7-15(22-11-19-20-21-22)14(10-13)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,23)
InChIKeyCLVDIPKJLSPYHG-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.77
Rot. Bonds5

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

5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42534608) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID42534608
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H14FN5O/c17-13-6-7-15(22-11-19-20-21-22)14(10-13)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,23)
InChIKeyCLVDIPKJLSPYHG-UHFFFAOYSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
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
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide (CID 42534608) is 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCCc1ccccc1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is CLVDIPKJLSPYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-13-6-7-15(22-11-19-20-21-22)14(10-13)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,23).
What are the key properties of 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 311.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42534608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).