2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide

C9H8Cl3NO — CID 62225121

IUPAC2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl3NO/c1-13-9(14)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,13,14)
InChIKeyDBPMAKFHXBAZIK-UHFFFAOYSA-N
MW252.53 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide

2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide (PubChem CID 62225121) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide
PubChem CID62225121
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl3NO/c1-13-9(14)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,13,14)
InChIKeyDBPMAKFHXBAZIK-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3,5-dichlorophenyl)-N,N-dimethylacetamide
CID 62225352
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide
CID 130649464
2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 62225305
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
methyl 2-bromo-2-(3,5-dichlorophenyl)acetate
CID 77174840
2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
CID 114454641
ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate
CID 60787061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide (CID 62225121) is 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide is CNC(=O)C(Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide?
The InChIKey is DBPMAKFHXBAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c1-13-9(14)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,13,14).
What are the key properties of 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide?
2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide has a molecular weight of 252.53 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 62225121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).