3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide

C20H22Cl2N2O2 — CID 113126107

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

About 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide

3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 113126107) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide
PubChem CID113126107
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H22Cl2N2O2/c1-12-9-13(2)20(14(3)10-12)24(15(4)25)8-7-19(26)23-16-5-6-17(21)18(22)11-16/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)
InChIKeyPQFGKOIKLXANLY-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

2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128340
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113132955
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide (CID 113126107) is 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is PQFGKOIKLXANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12-9-13(2)20(14(3)10-12)24(15(4)25)8-7-19(26)23-16-5-6-17(21)18(22)11-16/h5-6,9-11H,7-8H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide?
3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)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-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).