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

C17H16FN5O — CID 51229787

IUPACN-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)c(F)c1
InChIInChI=1S/C17H16FN5O/c1-12-7-8-15(14(18)9-12)20-17(24)16(23-11-19-21-22-23)10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3,(H,20,24)
InChIKeyHUZIGEDDPJVFHU-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.54
Rot. Bonds5

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

N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51229787) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51229787
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)c(F)c1
InChIInChI=1S/C17H16FN5O/c1-12-7-8-15(14(18)9-12)20-17(24)16(23-11-19-21-22-23)10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3,(H,20,24)
InChIKeyHUZIGEDDPJVFHU-UHFFFAOYSA-N
XLogP2.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552
N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 86798495
(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
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
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
ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75356958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51229787) is N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is HUZIGEDDPJVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-12-7-8-15(14(18)9-12)20-17(24)16(23-11-19-21-22-23)10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3,(H,20,24).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 325.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51229787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).