1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one

C19H14FNO2 — CID 3591209

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F
InChIInChI=1S/C19H14FNO2/c1-23-17-9-8-12(10-15(17)20)11-21-16-7-3-5-13-4-2-6-14(18(13)16)19(21)22/h2-10H,11H2,1H3
InChIKeyQVILTBLFPZDWBC-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.15
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one

1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one (PubChem CID 3591209) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one
PubChem CID3591209
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F
InChIInChI=1S/C19H14FNO2/c1-23-17-9-8-12(10-15(17)20)11-21-16-7-3-5-13-4-2-6-14(18(13)16)19(21)22/h2-10H,11H2,1H3
InChIKeyQVILTBLFPZDWBC-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one (CID 3591209) is 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one is COc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is QVILTBLFPZDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-23-17-9-8-12(10-15(17)20)11-21-16-7-3-5-13-4-2-6-14(18(13)16)19(21)22/h2-10H,11H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 307.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 3591209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).