3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione

C18H13Cl3N2O2 — CID 7708505

IUPAC3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione
SMILESO=C1/C(=N/Cc2ccccc2Cl)C(Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N2O2/c19-13-7-5-11(6-8-13)10-23-17(24)15(21)16(18(23)25)22-9-12-3-1-2-4-14(12)20/h1-8,15H,9-10H2/b22-16+
InChIKeyRXIPAGCRMUMLBS-CJLVFECKSA-N
MW395.67 g/mol
LogP4.11
Rot. Bonds4

About 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione

3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione (PubChem CID 7708505) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione
PubChem CID7708505
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Name3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione
SMILESO=C1/C(=N/Cc2ccccc2Cl)C(Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N2O2/c19-13-7-5-11(6-8-13)10-23-17(24)15(21)16(18(23)25)22-9-12-3-1-2-4-14(12)20/h1-8,15H,9-10H2/b22-16+
InChIKeyRXIPAGCRMUMLBS-CJLVFECKSA-N
XLogP4.11
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methyl]-5,6-diphenyl-1,3-thiazinane-2,4-dione
CID 19838634
(3S,4S)-1-benzyl-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione
CID 98150978
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
CID 43236228
(15S,19R)-17-[(2-chlorophenyl)methyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1317679
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
3-[(4-chlorophenyl)methyl]-1,3-thiazinane-2,4-dione
CID 19838636
(3aR,6aS)-2-[(2-chlorophenyl)methyl]-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916053
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
2-chloro-3-[2-(4-chlorophenyl)ethylimino]naphthalene-1,4-dione
CID 7009477
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione (CID 7708505) is 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione is O=C1/C(=N/Cc2ccccc2Cl)C(Cl)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione?
The InChIKey is RXIPAGCRMUMLBS-CJLVFECKSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c19-13-7-5-11(6-8-13)10-23-17(24)15(21)16(18(23)25)22-9-12-3-1-2-4-14(12)20/h1-8,15H,9-10H2/b22-16+.
What are the key properties of 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione?
3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione has a molecular weight of 395.67 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(4-chlorophenyl)methyl]-4-[(2-chlorophenyl)methylimino]pyrrolidine-2,5-dione is sourced from PubChem (CID 7708505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).