2-chloro-2-(4-fluorophenyl)-N-methylacetamide

C9H9ClFNO — CID 10352801

IUPAC2-chloro-2-(4-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c1-12-9(13)8(10)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,12,13)
InChIKeyRWLPQQPOOKKDEO-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.85
Rot. Bonds2

About 2-chloro-2-(4-fluorophenyl)-N-methylacetamide

2-chloro-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 10352801) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID10352801
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-2-(4-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c1-12-9(13)8(10)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,12,13)
InChIKeyRWLPQQPOOKKDEO-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
CID 147045544
1-chloro-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-one
CID 81242438
2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide
CID 62225121
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
CID 63669080
2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
2-(4-fluorophenyl)-N'-methylpropanehydrazide
CID 116846978
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(4-fluorophenyl)-N-methylacetamide (CID 10352801) is 2-chloro-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(4-fluorophenyl)-N-methylacetamide is CNC(=O)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is RWLPQQPOOKKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12-9(13)8(10)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,12,13).
What are the key properties of 2-chloro-2-(4-fluorophenyl)-N-methylacetamide?
2-chloro-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 201.63 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 10352801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).