1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione

C15H15BrClNO2 — CID 65001177

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione
SMILESO=C1C(=O)N(CC2(CBr)CCCC2)c2cccc(Cl)c21
InChIInChI=1S/C15H15BrClNO2/c16-8-15(6-1-2-7-15)9-18-11-5-3-4-10(17)12(11)13(19)14(18)20/h3-5H,1-2,6-9H2
InChIKeyOHNBBQQPTMOWFG-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.82
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione (PubChem CID 65001177) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione
PubChem CID65001177
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione
SMILESO=C1C(=O)N(CC2(CBr)CCCC2)c2cccc(Cl)c21
InChIInChI=1S/C15H15BrClNO2/c16-8-15(6-1-2-7-15)9-18-11-5-3-4-10(17)12(11)13(19)14(18)20/h3-5H,1-2,6-9H2
InChIKeyOHNBBQQPTMOWFG-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-chloroindole-2,3-dione
CID 65008202
2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495661
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-chloro-7-fluoroindole-2,3-dione
CID 65008149
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
1-[[1-(bromomethyl)cyclopentyl]methyl]-5,6-difluoroindole-2,3-dione
CID 80727623
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]indole-2,3-dione
CID 65007404
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369
4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
CID 103038332
2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
CID 63580023

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione (CID 65001177) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione is O=C1C(=O)N(CC2(CBr)CCCC2)c2cccc(Cl)c21.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione?
The InChIKey is OHNBBQQPTMOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c16-8-15(6-1-2-7-15)9-18-11-5-3-4-10(17)12(11)13(19)14(18)20/h3-5H,1-2,6-9H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione has a molecular weight of 356.65 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione is sourced from PubChem (CID 65001177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).