(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile

C21H18N2O — CID 134948411

IUPAC(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c22-16-20(17-10-4-1-5-11-17)23(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,24H/t20-/m1/s1
InChIKeyQFBPEVAJPNKTBA-HXUWFJFHSA-N
MW314.39 g/mol
LogP4.73
Rot. Bonds5

About (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile

(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile (PubChem CID 134948411) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile
PubChem CID134948411
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c22-16-20(17-10-4-1-5-11-17)23(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,24H/t20-/m1/s1
InChIKeyQFBPEVAJPNKTBA-HXUWFJFHSA-N
XLogP4.73
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[benzhydryl(hydroxy)amino]-3,3-dimethylbutanenitrile
CID 134948413
(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 28764892
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-phenylacetonitrile
CID 10333884
N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
CID 82114950
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 101024506
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
2-cyano-3-phenylbutanedioic acid
CID 24998756
2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
CID 70797697
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile?
The IUPAC name of (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile (CID 134948411) is (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile is N#C[C@H](c1ccccc1)N(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile?
The InChIKey is QFBPEVAJPNKTBA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O/c22-16-20(17-10-4-1-5-11-17)23(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,24H/t20-/m1/s1.
What are the key properties of (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile?
(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile is sourced from PubChem (CID 134948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).