3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide

C15H20Cl2N2O2 — CID 113134052

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(2)9-18-15(21)4-5-19(11(3)20)14-7-12(16)6-13(17)8-14/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyZMLBFFFCANQZOM-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.51
Rot. Bonds6

About 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113134052) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
PubChem CID113134052
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(2)9-18-15(21)4-5-19(11(3)20)14-7-12(16)6-13(17)8-14/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyZMLBFFFCANQZOM-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
CID 113134053
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide (CID 113134052) is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide is CC(=O)N(CCC(=O)NCC(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is ZMLBFFFCANQZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(2)9-18-15(21)4-5-19(11(3)20)14-7-12(16)6-13(17)8-14/h6-8,10H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 331.24 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113134052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).