2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone

C16H12Cl2N2O3 — CID 18102372

IUPAC2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H12Cl2N2O3/c17-13-2-1-3-14(18)12(13)9-16(21)19-7-6-10-8-11(20(22)23)4-5-15(10)19/h1-5,8H,6-7,9H2
InChIKeyCXHNMSDWDCVQOE-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.03
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone

2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 18102372) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID18102372
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H12Cl2N2O3/c17-13-2-1-3-14(18)12(13)9-16(21)19-7-6-10-8-11(20(22)23)4-5-15(10)19/h1-5,8H,6-7,9H2
InChIKeyCXHNMSDWDCVQOE-UHFFFAOYSA-N
XLogP4.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.03
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

3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 2782274
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928155
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-dichlorobenzoate
CID 27313149
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
N-(2-chlorophenyl)-5-nitro-2,3-dihydroindole-1-carbothioamide
CID 2727567
2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 27355487
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2433629
(2S)-2-amino-5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928165
5-nitro-2,3-dihydroindole-1-carbothioamide
CID 59276829
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone (CID 18102372) is 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CXHNMSDWDCVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-13-2-1-3-14(18)12(13)9-16(21)19-7-6-10-8-11(20(22)23)4-5-15(10)19/h1-5,8H,6-7,9H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 351.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 18102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).