1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one

C20H17FN2O — CID 9170413

IUPAC1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one
SMILESCN(Cc1cccc(F)c1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H17FN2O/c1-22(12-14-5-2-8-16(21)11-14)13-23-18-10-4-7-15-6-3-9-17(19(15)18)20(23)24/h2-11H,12-13H2,1H3
InChIKeyIPUIHESUFNSTCQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.03
Rot. Bonds4

About 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one

1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one (PubChem CID 9170413) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one
PubChem CID9170413
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one
SMILESCN(Cc1cccc(F)c1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H17FN2O/c1-22(12-14-5-2-8-16(21)11-14)13-23-18-10-4-7-15-6-3-9-17(19(15)18)20(23)24/h2-11H,12-13H2,1H3
InChIKeyIPUIHESUFNSTCQ-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzo[cd]indol-2-one
CID 9330473
benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
CID 9169350
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 848359

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one (CID 9170413) is 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one is CN(Cc1cccc(F)c1)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one?
The InChIKey is IPUIHESUFNSTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-22(12-14-5-2-8-16(21)11-14)13-23-18-10-4-7-15-6-3-9-17(19(15)18)20(23)24/h2-11H,12-13H2,1H3.
What are the key properties of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one?
1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one has a molecular weight of 320.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 9170413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).