(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione

C17H14INO2 — CID 1212986

IUPAC(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C17H14INO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeyBCGTXPUDWJUCPZ-CYBMUJFWSA-N
MW391.21 g/mol
LogP3.41
Rot. Bonds3

About (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione

(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione (PubChem CID 1212986) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
PubChem CID1212986
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C17H14INO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeyBCGTXPUDWJUCPZ-CYBMUJFWSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
CID 110457877
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
ethyl 4-(3-benzyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 3709959
benzyl-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 3488716
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione (CID 1212986) is (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The InChIKey is BCGTXPUDWJUCPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14INO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2/t13-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione?
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione has a molecular weight of 391.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1212986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).