3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide

C15H20Cl2N2O2 — CID 113133839

IUPAC3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)7-8-19(11(3)20)14-6-5-12(16)9-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyVQTAPISVRUGWNE-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.65
Rot. Bonds6

About 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide

3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide (PubChem CID 113133839) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
PubChem CID113133839
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)7-8-19(11(3)20)14-6-5-12(16)9-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyVQTAPISVRUGWNE-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-3,5-dichloroanilino)-N-butan-2-ylpropanamide
CID 113134053
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide (CID 113133839) is 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(C(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide?
The InChIKey is VQTAPISVRUGWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-4-10(2)18-15(21)7-8-19(11(3)20)14-6-5-12(16)9-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide?
3-(N-acetyl-2,4-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-2,4-dichloroanilino)-N-butan-2-ylpropanamide is sourced from PubChem (CID 113133839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).