3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide

C13H16Cl2N2O2 — CID 62729410

IUPAC3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(7-14)13(19)17(2)8-12(18)16-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyFMELEMCWCAONBH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.61
Rot. Bonds5

About 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide

3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 62729410) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID62729410
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(7-14)13(19)17(2)8-12(18)16-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyFMELEMCWCAONBH-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664280
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide (CID 62729410) is 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide is CC(CCl)C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is FMELEMCWCAONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9(7-14)13(19)17(2)8-12(18)16-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 303.19 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 62729410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).