4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C16H14FN5O2 — CID 29131778

IUPAC4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C16H14FN5O2/c17-12-3-6-14(15(9-12)22-10-19-20-21-22)16(24)18-8-7-11-1-4-13(23)5-2-11/h1-6,9-10,23H,7-8H2,(H,18,24)
InChIKeySSEZXUNBENKFRT-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.48
Rot. Bonds5

About 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 29131778) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID29131778
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C16H14FN5O2/c17-12-3-6-14(15(9-12)22-10-19-20-21-22)16(24)18-8-7-11-1-4-13(23)5-2-11/h1-6,9-10,23H,7-8H2,(H,18,24)
InChIKeySSEZXUNBENKFRT-UHFFFAOYSA-N
XLogP1.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
N-[2-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600070
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-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 29131778) is 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is O=C(NCCc1ccc(O)cc1)c1ccc(F)cc1-n1cnnn1.
What is the InChIKey of 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is SSEZXUNBENKFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-12-3-6-14(15(9-12)22-10-19-20-21-22)16(24)18-8-7-11-1-4-13(23)5-2-11/h1-6,9-10,23H,7-8H2,(H,18,24).
What are the key properties of 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 327.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29131778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).