7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one

C17H14Cl2FNO — CID 67251253

IUPAC7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1=O
InChIInChI=1S/C17H14Cl2FNO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(20)8-15(19)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3
InChIKeyNKWFSGWJOINYKJ-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.72
Rot. Bonds3

About 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one

7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one (PubChem CID 67251253) has the molecular formula C17H14Cl2FNO and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one
PubChem CID67251253
Molecular FormulaC17H14Cl2FNO
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1=O
InChIInChI=1S/C17H14Cl2FNO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(20)8-15(19)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3
InChIKeyNKWFSGWJOINYKJ-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Chlorophenyl)-3-oxoisoindoline
CID 5073852
(10bR)-7-chloro-10-methyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 16115392
(10bR)-7-chloro-10-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 16115511
2-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151770
2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-2,3-dihydro-isoindol-1-one
CID 44278267
2-[5-[(3-Chlorophenyl)methyl-methylamino]pentyl]isoindole-1,3-dione;hydrochloride
CID 118729300
2-[6-[(3-Chlorophenyl)methyl-methylamino]hexyl]isoindole-1,3-dione;hydrochloride
CID 118729302
2-[7-[(3-Chlorophenyl)methyl-methylamino]heptyl]isoindole-1,3-dione;hydrochloride
CID 118729304
2-[8-[(3-Chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
CID 118729306
2-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]isoindole-1,3-dione
CID 162652984
4,5,6,7-Tetrachloro-2-(4-phenylbutyl)isoindoline-1,3-dione
CID 10319782
2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide
CID 11525327

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one (CID 67251253) is 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one is CC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one?
The InChIKey is NKWFSGWJOINYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(20)8-15(19)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one?
7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one has a molecular weight of 338.21 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one is sourced from PubChem (CID 67251253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).