3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide

C18H17Cl3N2O2 — CID 113127945

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H17Cl3N2O2/c1-11-7-13(19)3-4-17(11)23(12(2)24)6-5-18(25)22-16-9-14(20)8-15(21)10-16/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyIIYAXXDQLXTZLI-UHFFFAOYSA-N
MW399.71 g/mol
LogP5.34
Rot. Bonds5

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 113127945) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
PubChem CID113127945
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H17Cl3N2O2/c1-11-7-13(19)3-4-17(11)23(12(2)24)6-5-18(25)22-16-9-14(20)8-15(21)10-16/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyIIYAXXDQLXTZLI-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide (CID 113127945) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is IIYAXXDQLXTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-11-7-13(19)3-4-17(11)23(12(2)24)6-5-18(25)22-16-9-14(20)8-15(21)10-16/h3-4,7-10H,5-6H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 399.71 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 113127945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).