5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole

C18H17Cl4N — CID 71276955

IUPAC5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H17Cl4N/c1-11(2-3-12-4-5-15(19)16(20)6-12)23-9-13-7-17(21)18(22)8-14(13)10-23/h4-8,11H,2-3,9-10H2,1H3/t11-/m1/s1
InChIKeyUYQJQXBCVBDUGX-LLVKDONJSA-N
MW389.15 g/mol
LogP6.64
Rot. Bonds4

About 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole

5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole (PubChem CID 71276955) has the molecular formula C18H17Cl4N and a molecular weight of 389.15 g/mol. Its IUPAC name is 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole
PubChem CID71276955
Molecular FormulaC18H17Cl4N
Molecular Weight389.15 g/mol
Exact Mass387.01
IUPAC Name5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H17Cl4N/c1-11(2-3-12-4-5-15(19)16(20)6-12)23-9-13-7-17(21)18(22)8-14(13)10-23/h4-8,11H,2-3,9-10H2,1H3/t11-/m1/s1
InChIKeyUYQJQXBCVBDUGX-LLVKDONJSA-N
XLogP6.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.15
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The IUPAC name of 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole (CID 71276955) is 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The canonical SMILES for 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole is C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The InChIKey is UYQJQXBCVBDUGX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl4N/c1-11(2-3-12-4-5-15(19)16(20)6-12)23-9-13-7-17(21)18(22)8-14(13)10-23/h4-8,11H,2-3,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole?
5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole has a molecular weight of 389.15 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 71276955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).