3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide

C17H16N2O2 — CID 56765259

IUPAC3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c18-11-14-7-4-8-15(9-14)17(21)19-12-16(20)10-13-5-2-1-3-6-13/h1-9,16,20H,10,12H2,(H,19,21)
InChIKeyOMUZTNZETLRQLD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds5

About 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide

3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 56765259) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID56765259
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c18-11-14-7-4-8-15(9-14)17(21)19-12-16(20)10-13-5-2-1-3-6-13/h1-9,16,20H,10,12H2,(H,19,21)
InChIKeyOMUZTNZETLRQLD-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
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3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 56765259) is 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide is N#Cc1cccc(C(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is OMUZTNZETLRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-14-7-4-8-15(9-14)17(21)19-12-16(20)10-13-5-2-1-3-6-13/h1-9,16,20H,10,12H2,(H,19,21).
What are the key properties of 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide?
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 56765259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).