3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

C11H12Cl2FNO — CID 43470580

IUPAC3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCl
InChIInChI=1S/C11H12Cl2FNO/c1-15(11(16)5-6-12)7-8-9(13)3-2-4-10(8)14/h2-4H,5-7H2,1H3
InChIKeyINHDPHFRIFJBRK-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.07
Rot. Bonds4

About 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 43470580) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID43470580
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCCl
InChIInChI=1S/C11H12Cl2FNO/c1-15(11(16)5-6-12)7-8-9(13)3-2-4-10(8)14/h2-4H,5-7H2,1H3
InChIKeyINHDPHFRIFJBRK-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide 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

N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (CID 43470580) is 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is INHDPHFRIFJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-15(11(16)5-6-12)7-8-9(13)3-2-4-10(8)14/h2-4H,5-7H2,1H3.
What are the key properties of 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 264.13 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43470580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).