2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide

C11H12Cl3NO — CID 66567842

IUPAC2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cc(Cl)ccc1Cl)C(=O)CCl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(11(16)6-12)7-8-5-9(13)3-4-10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyCWKCGPUPIKWOBK-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide

2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide (PubChem CID 66567842) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
PubChem CID66567842
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cc(Cl)ccc1Cl)C(=O)CCl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(11(16)6-12)7-8-5-9(13)3-4-10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyCWKCGPUPIKWOBK-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.58
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-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-[[2-(2,4-dichlorophenyl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827019
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
CID 46985161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide (CID 66567842) is 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide is CCN(Cc1cc(Cl)ccc1Cl)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide?
The InChIKey is CWKCGPUPIKWOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-2-15(11(16)6-12)7-8-5-9(13)3-4-10(8)14/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide?
2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide has a molecular weight of 280.58 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 66567842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).