1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one

C18H12FNO — CID 573349

IUPAC1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H12FNO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyBVBDVJKNARJWII-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.14
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one

1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one (PubChem CID 573349) has the molecular formula C18H12FNO and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one
PubChem CID573349
Molecular FormulaC18H12FNO
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H12FNO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyBVBDVJKNARJWII-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one (CID 573349) is 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is BVBDVJKNARJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one?
1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 277.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 573349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).