2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide

C6H7ClF2N2O2 — CID 130684227

IUPAC2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)Cl)CN1
InChIInChI=1S/C6H7ClF2N2O2/c7-6(8,9)5(13)11-3-1-4(12)10-2-3/h3H,1-2H2,(H,10,12)(H,11,13)
InChIKeyQOYJANDQPOCKDJ-UHFFFAOYSA-N
MW212.58 g/mol
LogP-0.18
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide

2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide (PubChem CID 130684227) has the molecular formula C6H7ClF2N2O2 and a molecular weight of 212.58 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
PubChem CID130684227
Molecular FormulaC6H7ClF2N2O2
Molecular Weight212.58 g/mol
Exact Mass212.02
IUPAC Name2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)Cl)CN1
InChIInChI=1S/C6H7ClF2N2O2/c7-6(8,9)5(13)11-3-1-4(12)10-2-3/h3H,1-2H2,(H,10,12)(H,11,13)
InChIKeyQOYJANDQPOCKDJ-UHFFFAOYSA-N
XLogP-0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.58
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
2-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106187568
2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide
CID 106188898
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide (CID 130684227) is 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide is O=C1CC(NC(=O)C(F)(F)Cl)CN1.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is QOYJANDQPOCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O2/c7-6(8,9)5(13)11-3-1-4(12)10-2-3/h3H,1-2H2,(H,10,12)(H,11,13).
What are the key properties of 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 212.58 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 130684227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).