2-chloro-N-(4-chlorophenyl)-N-ethylacetamide

C10H11Cl2NO — CID 15045863

IUPAC2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-2-13(10(14)7-11)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyCGSLDHGTQLGRMD-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide

2-chloro-N-(4-chlorophenyl)-N-ethylacetamide (PubChem CID 15045863) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
PubChem CID15045863
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-2-13(10(14)7-11)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyCGSLDHGTQLGRMD-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.93
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-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
5-(4-chloro-N-ethylanilino)-5-oxopentanoic acid
CID 59823928
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-chloro-N-(3-chloro-4-cyanophenyl)-N-ethylacetamide
CID 166415045
2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
CID 53416887
2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
CID 109002844
4-(4-chloro-N-ethylanilino)-3-methyl-4-oxobutanoic acid
CID 59823925
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
(4-chlorophenyl)-(3-chloropropyl)carbamic acid
CID 68525676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide (CID 15045863) is 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide is CCN(C(=O)CCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide?
The InChIKey is CGSLDHGTQLGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-2-13(10(14)7-11)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide?
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-ethylacetamide is sourced from PubChem (CID 15045863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).