3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide

C16H20F2N2O2 — CID 113133398

IUPAC3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-11(21)20(15-7-6-12(17)10-14(15)18)9-8-16(22)19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyFDSIZIRFMUYVCQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.77
Rot. Bonds5

About 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide

3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide (PubChem CID 113133398) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
PubChem CID113133398
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-11(21)20(15-7-6-12(17)10-14(15)18)9-8-16(22)19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyFDSIZIRFMUYVCQ-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide (CID 113133398) is 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide is CC(=O)N(CCC(=O)NC1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide?
The InChIKey is FDSIZIRFMUYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-11(21)20(15-7-6-12(17)10-14(15)18)9-8-16(22)19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide?
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide has a molecular weight of 310.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113133398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).