N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide

C12H11F2N3O2 — CID 136867834

IUPACN-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide
SMILESCC(C)C(=O)/N=N/c1c(O)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C12H11F2N3O2/c1-5(2)11(18)17-16-10-7-3-6(13)4-8(14)9(7)15-12(10)19/h3-5,15,19H,1-2H3/b17-16+
InChIKeyQWXGVCZEEOWHOH-WUKNDPDISA-N
MW267.24 g/mol
LogP3.42
Rot. Bonds2

About N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide

N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide (PubChem CID 136867834) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide
PubChem CID136867834
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC NameN-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide
SMILESCC(C)C(=O)/N=N/c1c(O)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C12H11F2N3O2/c1-5(2)11(18)17-16-10-7-3-6(13)4-8(14)9(7)15-12(10)19/h3-5,15,19H,1-2H3/b17-16+
InChIKeyQWXGVCZEEOWHOH-WUKNDPDISA-N
XLogP3.42
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867812
3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867814
3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 166205930
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
5,7-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335196
2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 4634483
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide?
The IUPAC name of N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide (CID 136867834) is N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide.
What is the SMILES notation for N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide?
The canonical SMILES for N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide is CC(C)C(=O)/N=N/c1c(O)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide?
The InChIKey is QWXGVCZEEOWHOH-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-5(2)11(18)17-16-10-7-3-6(13)4-8(14)9(7)15-12(10)19/h3-5,15,19H,1-2H3/b17-16+.
What are the key properties of N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide?
N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide has a molecular weight of 267.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide is sourced from PubChem (CID 136867834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).