1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione

C14H17BrN2O2 — CID 2180647

IUPAC1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@@H](Nc1cccc(Br)c1)N1C(=O)CCC1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)14(17-12(18)6-7-13(17)19)16-11-5-3-4-10(15)8-11/h3-5,8-9,14,16H,6-7H2,1-2H3/t14-/m0/s1
InChIKeyRLFUTMDQEZHSNR-AWEZNQCLSA-N
MW325.21 g/mol
LogP2.99
Rot. Bonds4

About 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione

1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione (PubChem CID 2180647) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione
PubChem CID2180647
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@@H](Nc1cccc(Br)c1)N1C(=O)CCC1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)14(17-12(18)6-7-13(17)19)16-11-5-3-4-10(15)8-11/h3-5,8-9,14,16H,6-7H2,1-2H3/t14-/m0/s1
InChIKeyRLFUTMDQEZHSNR-AWEZNQCLSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-propan-2-ylaniline
CID 23291934
3-bromo-N-(1,1-difluoropropan-2-yl)aniline
CID 102867830
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
2-[1-(3-bromoanilino)ethyl]benzene-1,3-diol
CID 107710405
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
3-bromo-N-(1-methoxy-4-methylpentan-3-yl)aniline
CID 115916693
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione (CID 2180647) is 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione is CC(C)[C@@H](Nc1cccc(Br)c1)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione?
The InChIKey is RLFUTMDQEZHSNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(2)14(17-12(18)6-7-13(17)19)16-11-5-3-4-10(15)8-11/h3-5,8-9,14,16H,6-7H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione?
1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-bromoanilino)-2-methylpropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2180647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).