2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide

C11H8F4N2O — CID 103732445

IUPAC2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N2O/c12-9(13)11(14,15)10(18)17-7-1-2-8-6(5-7)3-4-16-8/h1-5,9,16H,(H,17,18)
InChIKeyRCCSZCQHYNROKS-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.01
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide

2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide (PubChem CID 103732445) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
PubChem CID103732445
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N2O/c12-9(13)11(14,15)10(18)17-7-1-2-8-6(5-7)3-4-16-8/h1-5,9,16H,(H,17,18)
InChIKeyRCCSZCQHYNROKS-UHFFFAOYSA-N
XLogP3.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
CID 115432352
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
CID 103731825
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
1-[3-(1,1-difluoroethylsulfanyl)phenyl]-3-(1H-indol-5-yl)urea
CID 155742454

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide (CID 103732445) is 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide is O=C(Nc1ccc2[nH]ccc2c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide?
The InChIKey is RCCSZCQHYNROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c12-9(13)11(14,15)10(18)17-7-1-2-8-6(5-7)3-4-16-8/h1-5,9,16H,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide has a molecular weight of 260.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 103732445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).