1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone

C15H12FNO — CID 62230828

IUPAC1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C15H12FNO/c16-14-7-5-11(6-8-14)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-8H,9-10H2
InChIKeyVCOYVKTVRDKNAE-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.98
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone

1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone (PubChem CID 62230828) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
PubChem CID62230828
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C15H12FNO/c16-14-7-5-11(6-8-14)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-8H,9-10H2
InChIKeyVCOYVKTVRDKNAE-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575
2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 46024080
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
2-benzoyl-1,3-dihydroisoquinolin-4-one
CID 15740840
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2571794
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone (CID 62230828) is 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone?
The InChIKey is VCOYVKTVRDKNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-7-5-11(6-8-14)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-8H,9-10H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone?
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone has a molecular weight of 241.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 62230828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).