2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C10H10Cl2FNO — CID 2526704

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C10H10Cl2FNO/c1-14(10(15)5-11)6-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3
InChIKeyDOEZIAVDDBCIOS-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.68
Rot. Bonds3

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

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 2526704) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID2526704
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C10H10Cl2FNO/c1-14(10(15)5-11)6-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3
InChIKeyDOEZIAVDDBCIOS-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]acetamide
CID 144398
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
MED-COV-4280ac29-15
CID 16226890
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chloro-6-fluorobenzyl)-3-methyl-1,2-dihydropyridin-2-one
CID 2805343
1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
CID 943457
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
2-Chloro-N-(3-chlorobenzyl)acetamide
CID 602747
1-(2,6-dichlorobenzyl)-5-(trifluoromethyl)-2(1H)-pyridinone
CID 1483042
Propionamide, 2-chloro-N-(o-chlorophenethyl)-
CID 214758
N-benzyl-2-chloro-N-ethylacetamide
CID 2392406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 2526704) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is DOEZIAVDDBCIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-14(10(15)5-11)6-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 250.10 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2526704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).