2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide

C12H15Cl2NO — CID 62225355

IUPAC2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-3-15(4-2)12(16)11(14)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyPFIOKGPNBPYDQV-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide

2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide (PubChem CID 62225355) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
PubChem CID62225355
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-3-15(4-2)12(16)11(14)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyPFIOKGPNBPYDQV-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.49
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,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate
CID 88831077
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide (CID 62225355) is 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide?
The InChIKey is PFIOKGPNBPYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-15(4-2)12(16)11(14)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide?
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide has a molecular weight of 260.16 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide is sourced from PubChem (CID 62225355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).