3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide

C17H16N2O2 — CID 90499508

IUPAC3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESN#Cc1cccc(C(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c18-12-13-5-4-8-15(11-13)17(21)19-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,20H,9-10H2,(H,19,21)
InChIKeyHOJBNUCJEACAGY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds5

About 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide

3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide (PubChem CID 90499508) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
PubChem CID90499508
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESN#Cc1cccc(C(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c18-12-13-5-4-8-15(11-13)17(21)19-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,20H,9-10H2,(H,19,21)
InChIKeyHOJBNUCJEACAGY-UHFFFAOYSA-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-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide (CID 90499508) is 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide is N#Cc1cccc(C(=O)NCCC(O)c2ccccc2)c1.
What is the InChIKey of 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is HOJBNUCJEACAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-12-13-5-4-8-15(11-13)17(21)19-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,20H,9-10H2,(H,19,21).
What are the key properties of 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide?
3-cyano-N-(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 3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 90499508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).