5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide

C16H14FN5O2 — CID 42582423

IUPAC5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-13-5-2-11(3-6-13)9-18-16(23)14-8-12(17)4-7-15(14)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyOVVKJCXIOHKVFU-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.74
Rot. Bonds5

About 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 42582423) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID42582423
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-13-5-2-11(3-6-13)9-18-16(23)14-8-12(17)4-7-15(14)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyOVVKJCXIOHKVFU-UHFFFAOYSA-N
XLogP1.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.74
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-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
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
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 42580732
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 42582423) is 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide is COc1ccc(CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1.
What is the InChIKey of 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is OVVKJCXIOHKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-13-5-2-11(3-6-13)9-18-16(23)14-8-12(17)4-7-15(14)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,18,23).
What are the key properties of 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 327.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42582423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).