2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H18ClFN2O2 — CID 2712590

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c16-12-4-1-5-13(17)11(12)10-14(20)18-7-3-9-19-8-2-6-15(19)21/h1,4-5H,2-3,6-10H2,(H,18,20)
InChIKeySONAYDACSABIFR-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 2712590) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID2712590
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c16-12-4-1-5-13(17)11(12)10-14(20)18-7-3-9-19-8-2-6-15(19)21/h1,4-5H,2-3,6-10H2,(H,18,20)
InChIKeySONAYDACSABIFR-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
4-(4-Chlorophenyl)-2-pyrrolidinone
CID 185490
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]benzamide
CID 18135532
2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 974099
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxo-D-prolinamide
CID 49865054

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 2712590) is 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is SONAYDACSABIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-12-4-1-5-13(17)11(12)10-14(20)18-7-3-9-19-8-2-6-15(19)21/h1,4-5H,2-3,6-10H2,(H,18,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 312.77 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 2712590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).