2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide

C11H12ClF2NO — CID 115162189

IUPAC2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)CCl
InChIInChI=1S/C11H12ClF2NO/c1-15(11(16)7-12)5-4-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyPXHNFQADCSXNIE-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide

2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide (PubChem CID 115162189) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
PubChem CID115162189
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)CCl
InChIInChI=1S/C11H12ClF2NO/c1-15(11(16)7-12)5-4-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyPXHNFQADCSXNIE-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
CID 115167494
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide (CID 115162189) is 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide is CN(CCc1cc(F)ccc1F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is PXHNFQADCSXNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-15(11(16)7-12)5-4-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 247.67 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115162189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).