N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H14FN5O2 — CID 86798495

IUPACN-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(O)cc1F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H14FN5O2/c17-13-9-12(23)6-7-14(13)19-16(24)15(22-10-18-20-21-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,23H,8H2,(H,19,24)
InChIKeySZSAYTVKOCBIDD-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.94
Rot. Bonds5

About N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 86798495) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID86798495
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(O)cc1F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H14FN5O2/c17-13-9-12(23)6-7-14(13)19-16(24)15(22-10-18-20-21-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,23H,8H2,(H,19,24)
InChIKeySZSAYTVKOCBIDD-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552
N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229787
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 60556281
3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 86798495) is N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(Nc1ccc(O)cc1F)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is SZSAYTVKOCBIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-13-9-12(23)6-7-14(13)19-16(24)15(22-10-18-20-21-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,23H,8H2,(H,19,24).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 327.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 86798495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).