3-cyano-N-(1-methylcyclobutyl)benzamide

C13H14N2O — CID 115766115

IUPAC3-cyano-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#N)c2)CCC1
InChIInChI=1S/C13H14N2O/c1-13(6-3-7-13)15-12(16)11-5-2-4-10(8-11)9-14/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)
InChIKeyYQVICUZABXCPIY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds2

About 3-cyano-N-(1-methylcyclobutyl)benzamide

3-cyano-N-(1-methylcyclobutyl)benzamide (PubChem CID 115766115) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyano-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1-methylcyclobutyl)benzamide
PubChem CID115766115
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-cyano-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#N)c2)CCC1
InChIInChI=1S/C13H14N2O/c1-13(6-3-7-13)15-12(16)11-5-2-4-10(8-11)9-14/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)
InChIKeyYQVICUZABXCPIY-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
1-[(3-cyanobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294493
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-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575
2-[(3-cyanobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210673

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 3-cyano-N-(1-methylcyclobutyl)benzamide (CID 115766115) is 3-cyano-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 3-cyano-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 3-cyano-N-(1-methylcyclobutyl)benzamide is CC1(NC(=O)c2cccc(C#N)c2)CCC1.
What is the InChIKey of 3-cyano-N-(1-methylcyclobutyl)benzamide?
The InChIKey is YQVICUZABXCPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(6-3-7-13)15-12(16)11-5-2-4-10(8-11)9-14/h2,4-5,8H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-cyano-N-(1-methylcyclobutyl)benzamide?
3-cyano-N-(1-methylcyclobutyl)benzamide has a molecular weight of 214.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 115766115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).