(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

C16H12BrClN2O2 — CID 31274782

IUPAC(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClN2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-8,14,19H,9H2/t14-/m0/s1
InChIKeyHMZDPCCCODZYIE-AWEZNQCLSA-N
MW379.64 g/mol
LogP3.85
Rot. Bonds3

About (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 31274782) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID31274782
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClN2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-8,14,19H,9H2/t14-/m0/s1
InChIKeyHMZDPCCCODZYIE-AWEZNQCLSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
3-[3-(4-bromoanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43844269
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 43844516
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 31274782) is (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is HMZDPCCCODZYIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-8,14,19H,9H2/t14-/m0/s1.
What are the key properties of (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 379.64 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 31274782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).