2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide

C14H14F4N2O — CID 103732076

IUPAC2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
SMILESO=C(NCCCn1ccc2ccccc21)C(F)(F)C(F)F
InChIInChI=1S/C14H14F4N2O/c15-12(16)14(17,18)13(21)19-7-3-8-20-9-6-10-4-1-2-5-11(10)20/h1-2,4-6,9,12H,3,7-8H2,(H,19,21)
InChIKeyRYVXKDJUJPLJFU-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.05
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide

2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide (PubChem CID 103732076) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
PubChem CID103732076
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
SMILESO=C(NCCCn1ccc2ccccc21)C(F)(F)C(F)F
InChIInChI=1S/C14H14F4N2O/c15-12(16)14(17,18)13(21)19-7-3-8-20-9-6-10-4-1-2-5-11(10)20/h1-2,4-6,9,12H,3,7-8H2,(H,19,21)
InChIKeyRYVXKDJUJPLJFU-UHFFFAOYSA-N
XLogP3.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
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
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide (CID 103732076) is 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide is O=C(NCCCn1ccc2ccccc21)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide?
The InChIKey is RYVXKDJUJPLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c15-12(16)14(17,18)13(21)19-7-3-8-20-9-6-10-4-1-2-5-11(10)20/h1-2,4-6,9,12H,3,7-8H2,(H,19,21).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide?
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide has a molecular weight of 302.27 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide is sourced from PubChem (CID 103732076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).