3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

C17H16N2O2 — CID 51941970

IUPAC3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-5-7-14(8-6-12)16(20)11-19-17(21)15-4-2-3-13(9-15)10-18/h2-9,16,20H,11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyWKHWENRGYUELIB-MRXNPFEDSA-N
MW280.33 g/mol
LogP2.33
Rot. Bonds4

About 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (PubChem CID 51941970) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
PubChem CID51941970
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-5-7-14(8-6-12)16(20)11-19-17(21)15-4-2-3-13(9-15)10-18/h2-9,16,20H,11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyWKHWENRGYUELIB-MRXNPFEDSA-N
XLogP2.33
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (CID 51941970) is 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@H](O)CNC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is WKHWENRGYUELIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-5-7-14(8-6-12)16(20)11-19-17(21)15-4-2-3-13(9-15)10-18/h2-9,16,20H,11H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51941970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).