N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

C14H16Cl2N2O2 — CID 6456953

IUPACN-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-4-3-10(9-12(11)16)17-13(19)5-6-14(20)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,19)
InChIKeyJBZKMHLGAZSSQI-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.33
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 6456953) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID6456953
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-4-3-10(9-12(11)16)17-13(19)5-6-14(20)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,19)
InChIKeyJBZKMHLGAZSSQI-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
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Eclanamine
CID 130380
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 6456953) is N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is O=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is JBZKMHLGAZSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-4-3-10(9-12(11)16)17-13(19)5-6-14(20)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 315.20 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 6456953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).