3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide

C14H16Cl2N2O2 — CID 113134156

IUPAC3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-9(19)18(8-7-13(20)17-10-5-6-10)14-11(15)3-2-4-12(14)16/h2-4,10H,5-8H2,1H3,(H,17,20)
InChIKeyDJNWXFGWIQGSRG-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.02
Rot. Bonds5

About 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide

3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide (PubChem CID 113134156) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
PubChem CID113134156
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-9(19)18(8-7-13(20)17-10-5-6-10)14-11(15)3-2-4-12(14)16/h2-4,10H,5-8H2,1H3,(H,17,20)
InChIKeyDJNWXFGWIQGSRG-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 113134203
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
CID 113126298
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide (CID 113134156) is 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide is CC(=O)N(CCC(=O)NC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide?
The InChIKey is DJNWXFGWIQGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-9(19)18(8-7-13(20)17-10-5-6-10)14-11(15)3-2-4-12(14)16/h2-4,10H,5-8H2,1H3,(H,17,20).
What are the key properties of 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide?
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide has a molecular weight of 315.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 113134156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).