3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide

C16H20Cl2N2O2 — CID 113134055

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-11(21)20(15-9-12(17)8-13(18)10-15)7-6-16(22)19-14-4-2-3-5-14/h8-10,14H,2-7H2,1H3,(H,19,22)
InChIKeyVZRYGZPEDLXRIP-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.80
Rot. Bonds5

About 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide

3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide (PubChem CID 113134055) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
PubChem CID113134055
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-11(21)20(15-9-12(17)8-13(18)10-15)7-6-16(22)19-14-4-2-3-5-14/h8-10,14H,2-7H2,1H3,(H,19,22)
InChIKeyVZRYGZPEDLXRIP-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
CID 113134053
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide (CID 113134055) is 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide is CC(=O)N(CCC(=O)NC1CCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide?
The InChIKey is VZRYGZPEDLXRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-11(21)20(15-9-12(17)8-13(18)10-15)7-6-16(22)19-14-4-2-3-5-14/h8-10,14H,2-7H2,1H3,(H,19,22).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide has a molecular weight of 343.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113134055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).