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

C11H12Cl2FNO — CID 66567844

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C11H12Cl2FNO/c1-2-15(11(16)6-12)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyJUVRWAMSOVBGBD-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.07
Rot. Bonds4

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

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide (PubChem CID 66567844) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
PubChem CID66567844
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C11H12Cl2FNO/c1-2-15(11(16)6-12)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyJUVRWAMSOVBGBD-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'}

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Related Compounds

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
CID 55461829
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
CID 66567842
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide
CID 77092054
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide
CID 82139803
3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119951050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide (CID 66567844) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide is CCN(Cc1c(F)cccc1Cl)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide?
The InChIKey is JUVRWAMSOVBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-2-15(11(16)6-12)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide 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 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 66567844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).