2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide

C18H17Cl3N2O2 — CID 113172625

IUPAC2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-10-6-11(2)18(15(21)7-10)23(12(3)24)9-17(25)22-16-8-13(19)4-5-14(16)20/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyXNCPWHUDIKPAMC-UHFFFAOYSA-N
MW399.71 g/mol
LogP5.26
Rot. Bonds4

About 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 113172625) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
PubChem CID113172625
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-10-6-11(2)18(15(21)7-10)23(12(3)24)9-17(25)22-16-8-13(19)4-5-14(16)20/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyXNCPWHUDIKPAMC-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
CID 113172573
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
2-(N-acetyl-2-methylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113167437
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172580
2-(N-acetyl-2,4,6-trimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113170075
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
2-(N-acetyl-3-fluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113177743
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide (CID 113172625) is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is XNCPWHUDIKPAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-10-6-11(2)18(15(21)7-10)23(12(3)24)9-17(25)22-16-8-13(19)4-5-14(16)20/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide?
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 399.71 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 113172625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).