3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide

C15H20Cl2N2O2 — CID 113134053

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)5-6-19(11(3)20)14-8-12(16)7-13(17)9-14/h7-10H,4-6H2,1-3H3,(H,18,21)
InChIKeyWFRNPVASQHKJLF-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.65
Rot. Bonds6

About 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide

3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide (PubChem CID 113134053) 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-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
PubChem CID113134053
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)5-6-19(11(3)20)14-8-12(16)7-13(17)9-14/h7-10H,4-6H2,1-3H3,(H,18,21)
InChIKeyWFRNPVASQHKJLF-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
CID 113133839
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
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
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
3-(N-acetyl-3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113134153
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide (CID 113134053) is 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide?
The InChIKey is WFRNPVASQHKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)5-6-19(11(3)20)14-8-12(16)7-13(17)9-14/h7-10H,4-6H2,1-3H3,(H,18,21).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide has a molecular weight of 331.24 g/mol, XLogP of 3.65, 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-butan-2-ylpropanamide is sourced from PubChem (CID 113134053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).