1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione

C18H14BrClN2O2 — CID 6973041

IUPAC1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione
SMILESO=C1/C(=N/CCc2ccccc2)C(Cl)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H14BrClN2O2/c19-13-6-8-14(9-7-13)22-17(23)15(20)16(18(22)24)21-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b21-16+
InChIKeyGDMRHCMNMIOUPE-LTGZKZEYSA-N
MW405.68 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione (PubChem CID 6973041) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione
PubChem CID6973041
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC Name1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione
SMILESO=C1/C(=N/CCc2ccccc2)C(Cl)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H14BrClN2O2/c19-13-6-8-14(9-7-13)22-17(23)15(20)16(18(22)24)21-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b21-16+
InChIKeyGDMRHCMNMIOUPE-LTGZKZEYSA-N
XLogP3.61
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 53.61
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-chloro-1-phenyl-4-prop-2-enyliminopyrrolidine-2,5-dione
CID 6995900
2-chloro-3-[2-(4-chlorophenyl)ethylimino]naphthalene-1,4-dione
CID 7009477
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 23832478
1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one
CID 154641589
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3H-indol-2-one
CID 12043741
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(3S,3aR,6aR)-5-(4-bromophenyl)-3-(2-methylpropyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27829950
(15S,19R)-17-(4-bromophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1106975
1-(4-bromophenyl)indole-2,3-dione
CID 53359241

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione (CID 6973041) is 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione is O=C1/C(=N/CCc2ccccc2)C(Cl)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione?
The InChIKey is GDMRHCMNMIOUPE-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c19-13-6-8-14(9-7-13)22-17(23)15(20)16(18(22)24)21-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b21-16+.
What are the key properties of 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione has a molecular weight of 405.68 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-chloro-4-(2-phenylethylimino)pyrrolidine-2,5-dione is sourced from PubChem (CID 6973041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).