3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C14H15N3O2 — CID 110712456

IUPAC3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O2/c15-9-11-4-3-5-12(8-11)14(19)16-10-13(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,10H2,(H,16,19)
InChIKeyJVICGVOUJGLHIJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.91
Rot. Bonds3

About 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 110712456) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID110712456
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O2/c15-9-11-4-3-5-12(8-11)14(19)16-10-13(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,10H2,(H,16,19)
InChIKeyJVICGVOUJGLHIJ-UHFFFAOYSA-N
XLogP0.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 110405088
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(4-pentanoyl-1,4-diazepane-1-carbonyl)benzonitrile
CID 110797181
3-cyano-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzamide
CID 110371006
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 110712456) is 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is N#Cc1cccc(C(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is JVICGVOUJGLHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-9-11-4-3-5-12(8-11)14(19)16-10-13(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,10H2,(H,16,19).
What are the key properties of 3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 0.91, 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-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 110712456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).