1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole

C15H13ClN2O2 — CID 28964405

IUPAC1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(N2CCc3ccccc32)c(CCl)c1
InChIInChI=1S/C15H13ClN2O2/c16-10-12-9-13(18(19)20)5-6-15(12)17-8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2
InChIKeyQJMOGRBZRWGXLU-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.03
Rot. Bonds3

About 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole

1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole (PubChem CID 28964405) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
PubChem CID28964405
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(N2CCc3ccccc32)c(CCl)c1
InChIInChI=1S/C15H13ClN2O2/c16-10-12-9-13(18(19)20)5-6-15(12)17-8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2
InChIKeyQJMOGRBZRWGXLU-UHFFFAOYSA-N
XLogP4.03
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612
1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole
CID 114061498
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-nitroaniline
CID 62184628
4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 43350274
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
8-[2-(chloromethyl)-4-nitrophenyl]-8-azaspiro[4.5]decane
CID 63566407
1-[2-(chloromethyl)-4-nitrophenyl]-3-methylpiperidine
CID 43122181
1-[2-(chloromethyl)-4-nitrophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164290
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
1-[2-(chloromethyl)-4-nitrophenyl]-3,4-dimethoxypyrrolidine
CID 103535532

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole (CID 28964405) is 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole is O=[N+]([O-])c1ccc(N2CCc3ccccc32)c(CCl)c1.
What is the InChIKey of 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole?
The InChIKey is QJMOGRBZRWGXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-10-12-9-13(18(19)20)5-6-15(12)17-8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2.
What are the key properties of 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole?
1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole has a molecular weight of 288.73 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 1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole is sourced from PubChem (CID 28964405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).