1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole

C15H13ClN2O2 — CID 104838682

IUPAC1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O2/c1-10-9-11-5-2-3-7-13(11)17(10)14-8-4-6-12(16)15(14)18(19)20/h2-8,10H,9H2,1H3
InChIKeyICJAEDHDBPQMNI-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.33
Rot. Bonds2

About 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole

1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole (PubChem CID 104838682) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole
PubChem CID104838682
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O2/c1-10-9-11-5-2-3-7-13(11)17(10)14-8-4-6-12(16)15(14)18(19)20/h2-8,10H,9H2,1H3
InChIKeyICJAEDHDBPQMNI-UHFFFAOYSA-N
XLogP4.33
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.33
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

1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 104839024
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
1-(3-chloro-2-nitrophenyl)-4-methylsulfonylpiperazine
CID 104839007
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
2-(3-chloro-2-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 104838905
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(1,2-dimethyl-1H-inden-4-yl)-2-methyl-2,3-dihydroindole
CID 118443380
4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
CID 104838831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole (CID 104838682) is 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole?
The InChIKey is ICJAEDHDBPQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-9-11-5-2-3-7-13(11)17(10)14-8-4-6-12(16)15(14)18(19)20/h2-8,10H,9H2,1H3.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole?
1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole has a molecular weight of 288.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 104838682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).