4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

C17H16N2O2 — CID 96568296

IUPAC4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c18-12-13-6-8-15(9-7-13)17(21)19-11-10-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeySNRNEYAVXRUKRI-MRXNPFEDSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds5

About 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (PubChem CID 96568296) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
PubChem CID96568296
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c18-12-13-6-8-15(9-7-13)17(21)19-11-10-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeySNRNEYAVXRUKRI-MRXNPFEDSA-N
XLogP2.41
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The IUPAC name of 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (CID 96568296) is 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The canonical SMILES for 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is N#Cc1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The InChIKey is SNRNEYAVXRUKRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-12-13-6-8-15(9-7-13)17(21)19-11-10-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-11H2,(H,19,21)/t16-/m1/s1.
What are the key properties of 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is sourced from PubChem (CID 96568296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).