2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide

C12H14ClFN2O — CID 55068411

IUPAC2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-2-1-3-11(14)9(10)6-12(17)16-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyQPIVZTXKHKFLHR-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide

2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 55068411) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
PubChem CID55068411
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-2-1-3-11(14)9(10)6-12(17)16-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyQPIVZTXKHKFLHR-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046898
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2-(2,6-dimethoxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119452551

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide (CID 55068411) is 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide is O=C(Cc1c(F)cccc1Cl)NC1CCNC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is QPIVZTXKHKFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-2-1-3-11(14)9(10)6-12(17)16-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 256.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 55068411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).