2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide

C15H15F3N2O2 — CID 136709026

IUPAC2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide
SMILESCCCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H15F3N2O2/c1-2-3-7-11(20-14(22)15(16,17)18)12-9-6-4-5-8-10(9)19-13(12)21/h4-6,8,19,21H,2-3,7H2,1H3/b20-11+
InChIKeyICOYXFNBDYOQIQ-RGVLZGJSSA-N
MW312.29 g/mol
LogP3.94
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide

2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide (PubChem CID 136709026) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide
PubChem CID136709026
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide
SMILESCCCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H15F3N2O2/c1-2-3-7-11(20-14(22)15(16,17)18)12-9-6-4-5-8-10(9)19-13(12)21/h4-6,8,19,21H,2-3,7H2,1H3/b20-11+
InChIKeyICOYXFNBDYOQIQ-RGVLZGJSSA-N
XLogP3.94
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-HT
CID 1574
Indirubin deriv. 8h
CID 135434954
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
Nintedanib impurity E
CID 136242661
3-(anilinomethylidene)-1H-indol-2-one
CID 417125
Indirubin deriv. 8c
CID 135434958
Indirubin deriv. 8i
CID 135434959
Indirubin deriv. 8b
CID 135434960
7-Fluoroindirubin-3-acetoxime
CID 136104466
3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
CID 759776

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide (CID 136709026) is 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide is CCCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide?
The InChIKey is ICOYXFNBDYOQIQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-2-3-7-11(20-14(22)15(16,17)18)12-9-6-4-5-8-10(9)19-13(12)21/h4-6,8,19,21H,2-3,7H2,1H3/b20-11+.
What are the key properties of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide?
2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide has a molecular weight of 312.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]acetamide is sourced from PubChem (CID 136709026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).