3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

C13H14N2O2 — CID 63294478

IUPAC3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H14N2O2/c14-7-9-2-1-3-11(6-9)13(17)15-8-12(16)10-4-5-10/h1-3,6,10,12,16H,4-5,8H2,(H,15,17)
InChIKeyXGIOYPQJSMIRST-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.06
Rot. Bonds4

About 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (PubChem CID 63294478) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
PubChem CID63294478
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H14N2O2/c14-7-9-2-1-3-11(6-9)13(17)15-8-12(16)10-4-5-10/h1-3,6,10,12,16H,4-5,8H2,(H,15,17)
InChIKeyXGIOYPQJSMIRST-UHFFFAOYSA-N
XLogP1.06
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-[(3-cyanobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81361638
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (CID 63294478) is 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is N#Cc1cccc(C(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The InChIKey is XGIOYPQJSMIRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-7-9-2-1-3-11(6-9)13(17)15-8-12(16)10-4-5-10/h1-3,6,10,12,16H,4-5,8H2,(H,15,17).
What are the key properties of 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 63294478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).