3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide

C17H22Cl2N2O2 — CID 113133736

IUPAC3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-17(23)20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23)
InChIKeyJANMDQGCEFJHKS-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.19
Rot. Bonds5

About 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide

3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide (PubChem CID 113133736) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
PubChem CID113133736
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-17(23)20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23)
InChIKeyJANMDQGCEFJHKS-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide (CID 113133736) is 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide is CC(=O)N(CCC(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide?
The InChIKey is JANMDQGCEFJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-17(23)20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide?
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide has a molecular weight of 357.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 113133736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).