2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide

C10H11ClFNO — CID 130992769

IUPAC2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(C)c1F
InChIInChI=1S/C10H11ClFNO/c1-6-4-3-5-7(9(6)12)8(11)10(14)13-2/h3-5,8H,1-2H3,(H,13,14)
InChIKeyNUFAHOKVJSAYPK-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide

2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide (PubChem CID 130992769) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
PubChem CID130992769
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cccc(C)c1F
InChIInChI=1S/C10H11ClFNO/c1-6-4-3-5-7(9(6)12)8(11)10(14)13-2/h3-5,8H,1-2H3,(H,13,14)
InChIKeyNUFAHOKVJSAYPK-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide 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

2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
CID 63669080
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
2-(2-aminophenyl)-2-chloro-N-methylacetamide
CID 155233545
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
methyl 2-chloro-2-(2,3-dimethylphenyl)acetate
CID 62225659
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide (CID 130992769) is 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide is CNC(=O)C(Cl)c1cccc(C)c1F.
What is the InChIKey of 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide?
The InChIKey is NUFAHOKVJSAYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-6-4-3-5-7(9(6)12)8(11)10(14)13-2/h3-5,8H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide?
2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide has a molecular weight of 215.66 g/mol, XLogP of 2.16, 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-fluoro-3-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 130992769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).