3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide

C20H22Cl2N2O2 — CID 113134338

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12-10-13(2)20(14(3)11-12)23-18(26)8-9-24(15(4)25)17-7-5-6-16(21)19(17)22/h5-7,10-11H,8-9H2,1-4H3,(H,23,26)
InChIKeyGXDBCPKHQYHGDP-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.30
Rot. Bonds5

About 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113134338) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113134338
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12-10-13(2)20(14(3)11-12)23-18(26)8-9-24(15(4)25)17-7-5-6-16(21)19(17)22/h5-7,10-11H,8-9H2,1-4H3,(H,23,26)
InChIKeyGXDBCPKHQYHGDP-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-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
2-(N-acetyl-2,3-dichloroanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113180150
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 113134338) is 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is GXDBCPKHQYHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12-10-13(2)20(14(3)11-12)23-18(26)8-9-24(15(4)25)17-7-5-6-16(21)19(17)22/h5-7,10-11H,8-9H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)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-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113134338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).