(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione

C15H17BrN2O2 — CID 706670

IUPAC(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(18)20)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2/t13-/m0/s1
InChIKeyMZYISCUOSLSQRH-ZDUSSCGKSA-N
MW337.22 g/mol
LogP2.61
Rot. Bonds3

About (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione

(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione (PubChem CID 706670) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
PubChem CID706670
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(18)20)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2/t13-/m0/s1
InChIKeyMZYISCUOSLSQRH-ZDUSSCGKSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.61
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

3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 3135056
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 71669978
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
CID 2856358
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 823725
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 97290155
1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 2997082

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione (CID 706670) is (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione is O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione?
The InChIKey is MZYISCUOSLSQRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(18)20)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2/t13-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione?
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione has a molecular weight of 337.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 706670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).