3-cyano-N-(2-oxopropyl)benzamide

C11H10N2O2 — CID 64997343

IUPAC3-cyano-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H10N2O2/c1-8(14)7-13-11(15)10-4-2-3-9(5-10)6-12/h2-5H,7H2,1H3,(H,13,15)
InChIKeyDQVVXRQWLHAESZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.88
Rot. Bonds3

About 3-cyano-N-(2-oxopropyl)benzamide

3-cyano-N-(2-oxopropyl)benzamide (PubChem CID 64997343) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-cyano-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-oxopropyl)benzamide
PubChem CID64997343
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-cyano-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H10N2O2/c1-8(14)7-13-11(15)10-4-2-3-9(5-10)6-12/h2-5H,7H2,1H3,(H,13,15)
InChIKeyDQVVXRQWLHAESZ-UHFFFAOYSA-N
XLogP0.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 110712456
3-cyano-N-prop-2-enylbenzamide
CID 24701030
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
N-(3-bromo-2,2-dimethylpropyl)-3-cyanobenzamide
CID 115364797
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-cyano-N-(2-oxopropyl)benzamide (CID 64997343) is 3-cyano-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-oxopropyl)benzamide?
The InChIKey is DQVVXRQWLHAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(14)7-13-11(15)10-4-2-3-9(5-10)6-12/h2-5H,7H2,1H3,(H,13,15).
What are the key properties of 3-cyano-N-(2-oxopropyl)benzamide?
3-cyano-N-(2-oxopropyl)benzamide has a molecular weight of 202.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64997343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).