(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione

C25H18Cl2N2O4 — CID 98590365

IUPAC(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC2=C1C(=O)N(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C25H18Cl2N2O4/c1-13-10-14(19-12-21(30)28(23(19)31)17-6-2-15(26)3-7-17)11-20-22(13)25(33)29(24(20)32)18-8-4-16(27)5-9-18/h2-10,14,19H,11-12H2,1H3/t14-,19-/m1/s1
InChIKeyHDHAVPBVYPNXFN-AUUYWEPGSA-N
MW481.34 g/mol
LogP4.71
Rot. Bonds3

About (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione

(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione (PubChem CID 98590365) has the molecular formula C25H18Cl2N2O4 and a molecular weight of 481.34 g/mol. Its IUPAC name is (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
PubChem CID98590365
Molecular FormulaC25H18Cl2N2O4
Molecular Weight481.34 g/mol
Exact Mass480.06
IUPAC Name(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC2=C1C(=O)N(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C25H18Cl2N2O4/c1-13-10-14(19-12-21(30)28(23(19)31)17-6-2-15(26)3-7-17)11-20-22(13)25(33)29(24(20)32)18-8-4-16(27)5-9-18/h2-10,14,19H,11-12H2,1H3/t14-,19-/m1/s1
InChIKeyHDHAVPBVYPNXFN-AUUYWEPGSA-N
XLogP4.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-(4-chlorophenyl)-5-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
CID 98590363
(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
CID 98590360
(3aS,7aS)-2-(4-chlorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 964694
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
2-(4-chlorophenyl)-6,7-dihydroisoindole-1,3,4,5-tetrone
CID 57046959
S-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] ethanethioate
CID 6922468
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
2-(4-chlorophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 19166338
(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 766648
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
CID 13194948
2-[2-(4-methoxyphenoxy)ethyl]-5-[1-[2-(4-methoxyphenoxy)ethyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
CID 4206364
2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]propanal
CID 139259717

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione (CID 98590365) is (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione is CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC2=C1C(=O)N(c1ccc(Cl)cc1)C2=O.
What is the InChIKey of (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The InChIKey is HDHAVPBVYPNXFN-AUUYWEPGSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4/c1-13-10-14(19-12-21(30)28(23(19)31)17-6-2-15(26)3-7-17)11-20-22(13)25(33)29(24(20)32)18-8-4-16(27)5-9-18/h2-10,14,19H,11-12H2,1H3/t14-,19-/m1/s1.
What are the key properties of (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
(5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione has a molecular weight of 481.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-chlorophenyl)-5-[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 98590365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).