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

C15H12BrClFN — CID 150171538

IUPAC6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3cc(Br)cc(Cl)c3C2)cc1
InChIInChI=1S/C15H12BrClFN/c16-12-5-11-8-19(9-14(11)15(17)6-12)7-10-1-3-13(18)4-2-10/h1-6H,7-9H2
InChIKeyFJNMRJXUGLAINJ-UHFFFAOYSA-N
MW340.62 g/mol
LogP4.76
Rot. Bonds2

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

6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole (PubChem CID 150171538) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
PubChem CID150171538
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC Name6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3cc(Br)cc(Cl)c3C2)cc1
InChIInChI=1S/C15H12BrClFN/c16-12-5-11-8-19(9-14(11)15(17)6-12)7-10-1-3-13(18)4-2-10/h1-6H,7-9H2
InChIKeyFJNMRJXUGLAINJ-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Bromo-2-chloro-5-fluorobenzyl)pyrrolidine
CID 67278730
6-bromo-8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 139382845
4-Chloro-6-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
CID 150995465
6-Bromo-4-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 151278709
6-bromo-8-chloro-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 170697627
1-(6-Bromo-4-chloro-1,3-dihydroisoindol-2-yl)-2,2,2-trifluoroethanone
CID 171615138
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 60643800
1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 60646445
N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456485
1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 63457147
N-[(3-bromo-5-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 79706084
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 79706651

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole (CID 150171538) is 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole is Fc1ccc(CN2Cc3cc(Br)cc(Cl)c3C2)cc1.
What is the InChIKey of 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The InChIKey is FJNMRJXUGLAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c16-12-5-11-8-19(9-14(11)15(17)6-12)7-10-1-3-13(18)4-2-10/h1-6H,7-9H2.
What are the key properties of 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole?
6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole has a molecular weight of 340.62 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 150171538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).