8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one

C17H11ClFNO — CID 19348324

IUPAC8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one
SMILESO=C1CCc2c(-c3ccc(F)cc3)[nH]c3c(Cl)ccc1c23
InChIInChI=1S/C17H11ClFNO/c18-13-7-5-11-14(21)8-6-12-15(11)17(13)20-16(12)9-1-3-10(19)4-2-9/h1-5,7,20H,6,8H2
InChIKeyAZDYUGRMLZFFBK-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.76
Rot. Bonds1

About 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one

8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one (PubChem CID 19348324) has the molecular formula C17H11ClFNO and a molecular weight of 299.73 g/mol. Its IUPAC name is 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one.

Molecular Properties

Compound Name8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one
PubChem CID19348324
Molecular FormulaC17H11ClFNO
Molecular Weight299.73 g/mol
Exact Mass299.05
IUPAC Name8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one
SMILESO=C1CCc2c(-c3ccc(F)cc3)[nH]c3c(Cl)ccc1c23
InChIInChI=1S/C17H11ClFNO/c18-13-7-5-11-14(21)8-6-12-15(11)17(13)20-16(12)9-1-3-10(19)4-2-9/h1-5,7,20H,6,8H2
InChIKeyAZDYUGRMLZFFBK-UHFFFAOYSA-N
XLogP4.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one?
The IUPAC name of 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one (CID 19348324) is 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one.
What is the SMILES notation for 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one?
The canonical SMILES for 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one is O=C1CCc2c(-c3ccc(F)cc3)[nH]c3c(Cl)ccc1c23.
What is the InChIKey of 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one?
The InChIKey is AZDYUGRMLZFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO/c18-13-7-5-11-14(21)8-6-12-15(11)17(13)20-16(12)9-1-3-10(19)4-2-9/h1-5,7,20H,6,8H2.
What are the key properties of 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one?
8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one has a molecular weight of 299.73 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-benzo[cd]indol-5-one is sourced from PubChem (CID 19348324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).