3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide

C19H18N2O2 — CID 95379347

IUPAC3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H18N2O2/c20-12-14-5-4-6-15(11-14)18(22)21-13-19(23,17-9-10-17)16-7-2-1-3-8-16/h1-8,11,17,23H,9-10,13H2,(H,21,22)/t19-/m1/s1
InChIKeyPNXJEDCNVWRXQX-LJQANCHMSA-N
MW306.37 g/mol
LogP2.59
Rot. Bonds5

About 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide

3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 95379347) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide
PubChem CID95379347
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H18N2O2/c20-12-14-5-4-6-15(11-14)18(22)21-13-19(23,17-9-10-17)16-7-2-1-3-8-16/h1-8,11,17,23H,9-10,13H2,(H,21,22)/t19-/m1/s1
InChIKeyPNXJEDCNVWRXQX-LJQANCHMSA-N
XLogP2.59
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(dimethylamino)benzamide
CID 71788754
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
CID 90535391
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 95379451
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methyl-4-nitrobenzamide
CID 90535412
N-(3-bromo-2,2-dimethylpropyl)-3-cyanobenzamide
CID 115364797
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 122243818
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide (CID 95379347) is 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide is N#Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is PNXJEDCNVWRXQX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-12-14-5-4-6-15(11-14)18(22)21-13-19(23,17-9-10-17)16-7-2-1-3-8-16/h1-8,11,17,23H,9-10,13H2,(H,21,22)/t19-/m1/s1.
What are the key properties of 3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide?
3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.59, 5 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-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 95379347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).