(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione

C18H13Br2N3O2 — CID 99129593

IUPAC(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Br)cc1Br
InChIInChI=1S/C18H13Br2N3O2/c19-11-2-4-16(13(20)7-11)23-17(24)9-15(18(23)25)22-12-3-1-10-5-6-21-14(10)8-12/h1-8,15,21-22H,9H2/t15-/m1/s1
InChIKeyDHLKOXDPVVPVKQ-OAHLLOKOSA-N
MW463.13 g/mol
LogP4.44
Rot. Bonds3

About (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione

(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione (PubChem CID 99129593) has the molecular formula C18H13Br2N3O2 and a molecular weight of 463.13 g/mol. Its IUPAC name is (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
PubChem CID99129593
Molecular FormulaC18H13Br2N3O2
Molecular Weight463.13 g/mol
Exact Mass460.94
IUPAC Name(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Br)cc1Br
InChIInChI=1S/C18H13Br2N3O2/c19-11-2-4-16(13(20)7-11)23-17(24)9-15(18(23)25)22-12-3-1-10-5-6-21-14(10)8-12/h1-8,15,21-22H,9H2/t15-/m1/s1
InChIKeyDHLKOXDPVVPVKQ-OAHLLOKOSA-N
XLogP4.44
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.13
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
(3R)-1-(3,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560441
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 43844652
(3S)-3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 51860153
(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
CID 98463384
(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 1202052

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione (CID 99129593) is (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione is O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Br)cc1Br.
What is the InChIKey of (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The InChIKey is DHLKOXDPVVPVKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H13Br2N3O2/c19-11-2-4-16(13(20)7-11)23-17(24)9-15(18(23)25)22-12-3-1-10-5-6-21-14(10)8-12/h1-8,15,21-22H,9H2/t15-/m1/s1.
What are the key properties of (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione has a molecular weight of 463.13 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 99129593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).