2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

C16H13ClN2O4 — CID 3974490

IUPAC2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H13ClN2O4/c17-13-9-12(19(21)22)5-6-15(13)23-10-16(20)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2
InChIKeyHURKHSKGBAIOFW-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.22
Rot. Bonds4

About 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 3974490) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID3974490
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H13ClN2O4/c17-13-9-12(19(21)22)5-6-15(13)23-10-16(20)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2
InChIKeyHURKHSKGBAIOFW-UHFFFAOYSA-N
XLogP3.22
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.22
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-Chloro-phenoxy)-1-(2,3-dihydro-indol-1-yl)-ethanone
CID 823401
2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4780114
2-(3-Chlorophenoxy)-1-indolinylpropan-1-one
CID 2932497
2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 3995786
2-(2,5-Dichlorophenoxy)-1-indolinylpropan-1-one
CID 3136967
1-[(4-Nitrophenoxy)acetyl]indoline
CID 675683
N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 725803
3-(3-Chloro-4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 4326993
2-(2,4-Dichlorophenoxy)-1-(5,6-difluoro-2,3-dihydroindol-1-yl)ethanone
CID 45892666
2-(2,6-Dichloro-4-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264568
2-(2-Chloro-4-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22265123
2-(2,6-dichloro-4-nitrophenoxy)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 54351852

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (CID 3974490) is 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HURKHSKGBAIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-13-9-12(19(21)22)5-6-15(13)23-10-16(20)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 332.74 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3974490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).