2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide

C13H14F2N2O — CID 113218212

IUPAC2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccc2ccccc21)C(F)F
InChIInChI=1S/C13H14F2N2O/c14-12(15)13(18)16-7-3-8-17-9-6-10-4-1-2-5-11(10)17/h1-2,4-6,9,12H,3,7-8H2,(H,16,18)
InChIKeyPQNCSDSGLUSJKG-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.41
Rot. Bonds5

About 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide

2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide (PubChem CID 113218212) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
PubChem CID113218212
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccc2ccccc21)C(F)F
InChIInChI=1S/C13H14F2N2O/c14-12(15)13(18)16-7-3-8-17-9-6-10-4-1-2-5-11(10)17/h1-2,4-6,9,12H,3,7-8H2,(H,16,18)
InChIKeyPQNCSDSGLUSJKG-UHFFFAOYSA-N
XLogP2.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide (CID 113218212) is 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide is O=C(NCCCn1ccc2ccccc21)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide?
The InChIKey is PQNCSDSGLUSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-12(15)13(18)16-7-3-8-17-9-6-10-4-1-2-5-11(10)17/h1-2,4-6,9,12H,3,7-8H2,(H,16,18).
What are the key properties of 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide?
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide has a molecular weight of 252.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide is sourced from PubChem (CID 113218212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).