3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione

C16H12ClNO2 — CID 106694879

IUPAC3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)C1Cl
InChIInChI=1S/C16H12ClNO2/c17-14-13(15(19)18-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H,18,19,20)
InChIKeyZMHQRCJQOWPCJY-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.70
Rot. Bonds2

About 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione

3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione (PubChem CID 106694879) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
PubChem CID106694879
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)C1Cl
InChIInChI=1S/C16H12ClNO2/c17-14-13(15(19)18-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H,18,19,20)
InChIKeyZMHQRCJQOWPCJY-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059
3-chloro-4-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106694973
3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 106694974
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione (CID 106694879) is 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)C1Cl.
What is the InChIKey of 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ZMHQRCJQOWPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-14-13(15(19)18-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H,18,19,20).
What are the key properties of 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione?
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 285.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106694879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).