(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide

C19H19FN2O2 — CID 124854289

IUPAC(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
SMILESC[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(C#N)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-19(24,10-9-14-5-3-2-4-6-14)18(23)22-13-16-11-15(12-21)7-8-17(16)20/h2-8,11,24H,9-10,13H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyWXWILFCFGHGWNM-LJQANCHMSA-N
MW326.37 g/mol
LogP2.70
Rot. Bonds6

About (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide

(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide (PubChem CID 124854289) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
PubChem CID124854289
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
SMILESC[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(C#N)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-19(24,10-9-14-5-3-2-4-6-14)18(23)22-13-16-11-15(12-21)7-8-17(16)20/h2-8,11,24H,9-10,13H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyWXWILFCFGHGWNM-LJQANCHMSA-N
XLogP2.70
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyano-2-fluorophenyl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111498354
4-(4-cyanophenyl)-2-hydroxy-2-methylbutanoic acid
CID 126728507
1-[(5-cyano-2-fluorophenyl)methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111508733
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
3-(benzylsulfinylmethyl)-4-fluorobenzonitrile
CID 64690053
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111988030
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71869958
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111508720
2-[(5-cyano-2-fluorophenyl)methyl]-1-(2-phenylethyl)guanidine
CID 111821591
N-tert-butyl-2-[[N-[(5-cyano-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111498902
3-[[2-(4-chlorophenyl)ethylamino]methyl]-4-fluorobenzonitrile
CID 60716219
4-(2-hydroxy-4-phenylbutan-2-yl)benzonitrile
CID 115481593

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide?
The IUPAC name of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide (CID 124854289) is (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide?
The canonical SMILES for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide is C[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(C#N)ccc1F.
What is the InChIKey of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide?
The InChIKey is WXWILFCFGHGWNM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-19(24,10-9-14-5-3-2-4-6-14)18(23)22-13-16-11-15(12-21)7-8-17(16)20/h2-8,11,24H,9-10,13H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide?
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide has a molecular weight of 326.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 124854289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).