2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

C16H12F2N2O4 — CID 31754660

IUPAC2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H12F2N2O4/c17-11-2-4-15(13(18)7-11)24-9-16(21)19-6-5-10-1-3-12(20(22)23)8-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyZNTPUVLRSHLNCS-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 31754660) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID31754660
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H12F2N2O4/c17-11-2-4-15(13(18)7-11)24-9-16(21)19-6-5-10-1-3-12(20(22)23)8-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyZNTPUVLRSHLNCS-UHFFFAOYSA-N
XLogP2.84
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
2-(2,5-dimethylphenoxy)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 18102373
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 37162660
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 112810680

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (CID 31754660) is 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(COc1ccc(F)cc1F)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ZNTPUVLRSHLNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c17-11-2-4-15(13(18)7-11)24-9-16(21)19-6-5-10-1-3-12(20(22)23)8-14(10)19/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 334.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 31754660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).