3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide

C20H22Cl2N2O2 — CID 113128327

IUPAC3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12-9-14(3)20(17(22)10-12)24(15(4)25)8-7-19(26)23-18-6-5-16(21)11-13(18)2/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)
InChIKeyWMLUCTJFHWXHCE-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.30
Rot. Bonds5

About 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide

3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 113128327) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID113128327
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12-9-14(3)20(17(22)10-12)24(15(4)25)8-7-19(26)23-18-6-5-16(21)11-13(18)2/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)
InChIKeyWMLUCTJFHWXHCE-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113172625
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide
CID 113126107
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128340
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 113128327) is 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is WMLUCTJFHWXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12-9-14(3)20(17(22)10-12)24(15(4)25)8-7-19(26)23-18-6-5-16(21)11-13(18)2/h5-6,9-11H,7-8H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 393.31 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113128327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).