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

C15H11BrFNO — CID 172876011

IUPAC(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1Cc2cccc(Br)c2C1
InChIInChI=1S/C15H11BrFNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2
InChIKeyIFEIEOLSFGPHCP-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.74
Rot. Bonds1

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

(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone (PubChem CID 172876011) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
PubChem CID172876011
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1Cc2cccc(Br)c2C1
InChIInChI=1S/C15H11BrFNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2
InChIKeyIFEIEOLSFGPHCP-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
CID 172876012
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 106544565
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176045
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107956315
[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone
CID 4748717
(3R)-1-(4-bromo-1,3-dihydroisoindol-2-yl)-3-hydroxy-3-phenylpropan-1-one
CID 124619379
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108544199

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone (CID 172876011) is (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1Cc2cccc(Br)c2C1.
What is the InChIKey of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is IFEIEOLSFGPHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2.
What are the key properties of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone?
(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 320.16 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 172876011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).