4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one

C11H14BrN3O — CID 106183183

IUPAC4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
SMILESCc1cc(NC2CNC(=O)C2)c(Br)cc1N
InChIInChI=1S/C11H14BrN3O/c1-6-2-10(8(12)4-9(6)13)15-7-3-11(16)14-5-7/h2,4,7,15H,3,5,13H2,1H3,(H,14,16)
InChIKeyCDXLBFNSVBBSTH-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.64
Rot. Bonds2

About 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one

4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one (PubChem CID 106183183) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
PubChem CID106183183
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
SMILESCc1cc(NC2CNC(=O)C2)c(Br)cc1N
InChIInChI=1S/C11H14BrN3O/c1-6-2-10(8(12)4-9(6)13)15-7-3-11(16)14-5-7/h2,4,7,15H,3,5,13H2,1H3,(H,14,16)
InChIKeyCDXLBFNSVBBSTH-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
CID 106183031
4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183083
3-(4-amino-2-bromo-5-methylanilino)piperidin-2-one
CID 114048233
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyrrolidin-2-one
CID 114155126
4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
CID 106183235
2-bromo-5-methyl-1-N-(4-methylsulfanylcyclohexyl)benzene-1,4-diamine
CID 114122467
4-(4-amino-2-chloroanilino)pyrrolidin-2-one
CID 106182668
4-(2-amino-5-chloro-4-fluoroanilino)pyrrolidin-2-one
CID 106183056
ethyl 3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 114156991
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one (CID 106183183) is 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one is Cc1cc(NC2CNC(=O)C2)c(Br)cc1N.
What is the InChIKey of 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one?
The InChIKey is CDXLBFNSVBBSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-6-2-10(8(12)4-9(6)13)15-7-3-11(16)14-5-7/h2,4,7,15H,3,5,13H2,1H3,(H,14,16).
What are the key properties of 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one?
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one is sourced from PubChem (CID 106183183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).