(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone

C15H11FN2O3 — CID 17421569

IUPAC(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H11FN2O3/c16-13-4-2-1-3-12(13)15(19)17-8-7-10-9-11(18(20)21)5-6-14(10)17/h1-6,9H,7-8H2
InChIKeyFBGCTIGIPACSIV-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.94
Rot. Bonds2

About (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone

(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 17421569) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID17421569
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H11FN2O3/c16-13-4-2-1-3-12(13)15(19)17-8-7-10-9-11(18(20)21)5-6-14(10)17/h1-6,9H,7-8H2
InChIKeyFBGCTIGIPACSIV-UHFFFAOYSA-N
XLogP2.94
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
2,3-dihydroindol-1-yl-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 4876796
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(2-fluorophenyl)-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2964854
5-nitro-2,3-dihydroindole-1-carbothioamide
CID 59276829
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-(5-nitro-2,3-dihydroindol-1-yl)-4-oxobut-2-enoic acid
CID 4044459
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 2782274
[4-(2-fluorobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 579725

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone (CID 17421569) is (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccccc1F)N1CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is FBGCTIGIPACSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-13-4-2-1-3-12(13)15(19)17-8-7-10-9-11(18(20)21)5-6-14(10)17/h1-6,9H,7-8H2.
What are the key properties of (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone?
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 286.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17421569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).