4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole

C15H12ClF2N — CID 150995465

IUPAC4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3cc(F)cc(Cl)c3C2)cc1
InChIInChI=1S/C15H12ClF2N/c16-15-6-13(18)5-11-8-19(9-14(11)15)7-10-1-3-12(17)4-2-10/h1-6H,7-9H2
InChIKeyLSZRWLAEDHBTCA-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.13
Rot. Bonds2

About 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole

4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole (PubChem CID 150995465) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
PubChem CID150995465
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC Name4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3cc(F)cc(Cl)c3C2)cc1
InChIInChI=1S/C15H12ClF2N/c16-15-6-13(18)5-11-8-19(9-14(11)15)7-10-1-3-12(17)4-2-10/h1-6H,7-9H2
InChIKeyLSZRWLAEDHBTCA-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,10bR)-7-chloro-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903126
(6R,10bR)-6-(2-chloro-6-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44282302
US10207991, Ex. Cpd. No. 9
CID 118282963
(6S,10bR)-7-chloro-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903173
(6S,10bS)-7-chloro-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 54585657
4-Chloro-2,3-dihydro-1H-isoindole
CID 14795868
4-chloro-2,3-dihydro-1H-isoindole hydrochloride
CID 42609644
(3R,8aR)-3-(2-chloro-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13606149
(6S,10bR)-10-chloro-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44282066
Triethylbenzylammonia chloride
CID 91081379
1-(2-chlorophenyl)-N-[2-(trifluoromethyl)benzyl]methanamine
CID 834382
1-(2-Chloro-6-fluorobenzyl)pyrrolidine
CID 3304465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole (CID 150995465) is 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole is Fc1ccc(CN2Cc3cc(F)cc(Cl)c3C2)cc1.
What is the InChIKey of 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The InChIKey is LSZRWLAEDHBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c16-15-6-13(18)5-11-8-19(9-14(11)15)7-10-1-3-12(17)4-2-10/h1-6H,7-9H2.
What are the key properties of 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole has a molecular weight of 279.72 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 150995465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).