3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide

C13H14N2O — CID 51547056

IUPAC3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H14N2O/c1-9(11-5-6-11)15-13(16)12-4-2-3-10(7-12)8-14/h2-4,7,9,11H,5-6H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyOZUNXHFENGXMOK-VIFPVBQESA-N
MW214.27 g/mol
LogP2.09
Rot. Bonds3

About 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide

3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide (PubChem CID 51547056) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
PubChem CID51547056
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H14N2O/c1-9(11-5-6-11)15-13(16)12-4-2-3-10(7-12)8-14/h2-4,7,9,11H,5-6H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyOZUNXHFENGXMOK-VIFPVBQESA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-[(3-cyanobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81361638
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide?
The IUPAC name of 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide (CID 51547056) is 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide is C[C@H](NC(=O)c1cccc(C#N)c1)C1CC1.
What is the InChIKey of 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide?
The InChIKey is OZUNXHFENGXMOK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(11-5-6-11)15-13(16)12-4-2-3-10(7-12)8-14/h2-4,7,9,11H,5-6H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide?
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide has a molecular weight of 214.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide is sourced from PubChem (CID 51547056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).