2-chloro-2-fluoro-N-methyl-2-phenylacetamide

C9H9ClFNO — CID 131086216

IUPAC2-chloro-2-fluoro-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(F)(Cl)c1ccccc1
InChIInChI=1S/C9H9ClFNO/c1-12-8(13)9(10,11)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13)
InChIKeyAZLWYQCRQDLHMQ-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-2-fluoro-N-methyl-2-phenylacetamide

2-chloro-2-fluoro-N-methyl-2-phenylacetamide (PubChem CID 131086216) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-methyl-2-phenylacetamide
PubChem CID131086216
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-2-fluoro-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(F)(Cl)c1ccccc1
InChIInChI=1S/C9H9ClFNO/c1-12-8(13)9(10,11)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13)
InChIKeyAZLWYQCRQDLHMQ-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-N-methyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N,2-dimethyl-2-phenylpropanamide
CID 154114907
3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide
CID 174381619
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
1-methyl-3-tritylurea
CID 167052887
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
N-methyl-2,2-diphenyl-2-[(2-phenylacetyl)amino]acetamide
CID 10338453
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide
CID 174377159
2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
CID 155170790
methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 134916444
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-methyl-2-phenylacetamide?
The IUPAC name of 2-chloro-2-fluoro-N-methyl-2-phenylacetamide (CID 131086216) is 2-chloro-2-fluoro-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-methyl-2-phenylacetamide is CNC(=O)C(F)(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-fluoro-N-methyl-2-phenylacetamide?
The InChIKey is AZLWYQCRQDLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12-8(13)9(10,11)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13).
What are the key properties of 2-chloro-2-fluoro-N-methyl-2-phenylacetamide?
2-chloro-2-fluoro-N-methyl-2-phenylacetamide has a molecular weight of 201.63 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-methyl-2-phenylacetamide is sourced from PubChem (CID 131086216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).