2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide

C9H8ClF2NO — CID 63669080

IUPAC2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(F)c1F
InChIInChI=1S/C9H8ClF2NO/c1-13-9(14)7(10)5-3-2-4-6(11)8(5)12/h2-4,7H,1H3,(H,13,14)
InChIKeyHMSZIJHGIQHONU-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide

2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide (PubChem CID 63669080) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
PubChem CID63669080
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(F)c1F
InChIInChI=1S/C9H8ClF2NO/c1-13-9(14)7(10)5-3-2-4-6(11)8(5)12/h2-4,7H,1H3,(H,13,14)
InChIKeyHMSZIJHGIQHONU-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
2-(2-aminophenyl)-2-chloro-N-methylacetamide
CID 155233545
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
CID 103878479
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
methyl 2-chloro-3-(2,3-difluorophenyl)propanoate
CID 83195193
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide (CID 63669080) is 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide is CNC(=O)C(Cl)c1cccc(F)c1F.
What is the InChIKey of 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide?
The InChIKey is HMSZIJHGIQHONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c1-13-9(14)7(10)5-3-2-4-6(11)8(5)12/h2-4,7H,1H3,(H,13,14).
What are the key properties of 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide?
2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide has a molecular weight of 219.62 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 63669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).