2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide

C13H14Cl3NO2 — CID 3277317

IUPAC2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCC(C)(C)C(=O)C(Cl)(Cl)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H14Cl3NO2/c1-12(2,3)10(18)13(15,16)11(19)17-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H,17,19)
InChIKeyKNBWGCALHBENLZ-UHFFFAOYSA-N
MW322.62 g/mol
LogP4.07
Rot. Bonds3

About 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide

2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 3277317) has the molecular formula C13H14Cl3NO2 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
PubChem CID3277317
Molecular FormulaC13H14Cl3NO2
Molecular Weight322.62 g/mol
Exact Mass321.01
IUPAC Name2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCC(C)(C)C(=O)C(Cl)(Cl)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H14Cl3NO2/c1-12(2,3)10(18)13(15,16)11(19)17-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H,17,19)
InChIKeyKNBWGCALHBENLZ-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
CID 102107601
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-chlorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 113270737
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide (CID 3277317) is 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide is CC(C)(C)C(=O)C(Cl)(Cl)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is KNBWGCALHBENLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO2/c1-12(2,3)10(18)13(15,16)11(19)17-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H,17,19).
What are the key properties of 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide?
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 322.62 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 3277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).