4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one

C10H9BrCl2N2O — CID 168700400

IUPAC4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Cl)c(Br)cc2Cl)C1
InChIInChI=1S/C10H9BrCl2N2O/c11-6-2-8(13)9(3-7(6)12)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2
InChIKeyBPFJIZHYUWCMGI-UHFFFAOYSA-N
MW324.01 g/mol
LogP2.82
Rot. Bonds1

About 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one

4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one (PubChem CID 168700400) has the molecular formula C10H9BrCl2N2O and a molecular weight of 324.01 g/mol. Its IUPAC name is 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
PubChem CID168700400
Molecular FormulaC10H9BrCl2N2O
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Cl)c(Br)cc2Cl)C1
InChIInChI=1S/C10H9BrCl2N2O/c11-6-2-8(13)9(3-7(6)12)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2
InChIKeyBPFJIZHYUWCMGI-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505260
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
CID 168700541
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
CID 168700407
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one (CID 168700400) is 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cc(Cl)c(Br)cc2Cl)C1.
What is the InChIKey of 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is BPFJIZHYUWCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N2O/c11-6-2-8(13)9(3-7(6)12)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2.
What are the key properties of 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one?
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 324.01 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).