2-(4-fluorobenzoyl)-3H-isoindol-1-one

C15H10FNO2 — CID 24763674

IUPAC2-(4-fluorobenzoyl)-3H-isoindol-1-one
SMILESO=C(c1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C15H10FNO2/c16-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)15(17)19/h1-8H,9H2
InChIKeyNKWZJESXJQPBPA-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.62
Rot. Bonds1

About 2-(4-fluorobenzoyl)-3H-isoindol-1-one

2-(4-fluorobenzoyl)-3H-isoindol-1-one (PubChem CID 24763674) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-3H-isoindol-1-one
PubChem CID24763674
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorobenzoyl)-3H-isoindol-1-one
SMILESO=C(c1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C15H10FNO2/c16-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)15(17)19/h1-8H,9H2
InChIKeyNKWZJESXJQPBPA-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
2-[3-(4-fluorophenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 62025088
2-(furan-2-carbonyl)-3H-isoindol-1-one
CID 102488354
6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
CID 15656913
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
2-(1-methylpyrazole-3-carbonyl)-3H-isoindol-1-one
CID 172726903
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
CID 59957217
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905972
2-(piperazine-2-carbonyl)-3H-isoindol-1-one
CID 174880189

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-3H-isoindol-1-one?
The IUPAC name of 2-(4-fluorobenzoyl)-3H-isoindol-1-one (CID 24763674) is 2-(4-fluorobenzoyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-fluorobenzoyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-fluorobenzoyl)-3H-isoindol-1-one is O=C(c1ccc(F)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(4-fluorobenzoyl)-3H-isoindol-1-one?
The InChIKey is NKWZJESXJQPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)15(17)19/h1-8H,9H2.
What are the key properties of 2-(4-fluorobenzoyl)-3H-isoindol-1-one?
2-(4-fluorobenzoyl)-3H-isoindol-1-one has a molecular weight of 255.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-3H-isoindol-1-one is sourced from PubChem (CID 24763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).