3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide

C13H16N2O — CID 28831529

IUPAC3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O/c1-9(2)10(3)15-13(16)12-6-4-5-11(7-12)8-14/h4-7,9-10H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyZTKVASMFPXFOLR-SNVBAGLBSA-N
MW216.28 g/mol
LogP2.33
Rot. Bonds3

About 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide

3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide (PubChem CID 28831529) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
PubChem CID28831529
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O/c1-9(2)10(3)15-13(16)12-6-4-5-11(7-12)8-14/h4-7,9-10H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyZTKVASMFPXFOLR-SNVBAGLBSA-N
XLogP2.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide (CID 28831529) is 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](C)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide?
The InChIKey is ZTKVASMFPXFOLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)10(3)15-13(16)12-6-4-5-11(7-12)8-14/h4-7,9-10H,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide?
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide has a molecular weight of 216.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 28831529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).