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

C11H9Br2Cl2NO — CID 168505260

IUPAC1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H9Br2Cl2NO/c12-4-6-1-11(17)16(5-6)10-3-8(14)7(13)2-9(10)15/h2-3,6H,1,4-5H2
InChIKeyMIUWOBAQYDIFJI-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.50
Rot. Bonds2

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

1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168505260) has the molecular formula C11H9Br2Cl2NO and a molecular weight of 401.91 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168505260
Molecular FormulaC11H9Br2Cl2NO
Molecular Weight401.91 g/mol
Exact Mass398.84
IUPAC Name1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H9Br2Cl2NO/c12-4-6-1-11(17)16(5-6)10-3-8(14)7(13)2-9(10)15/h2-3,6H,1,4-5H2
InChIKeyMIUWOBAQYDIFJI-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
1-(2-amino-3,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506024
[1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676772
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671
4-(bromomethyl)-1-(5-chloro-4-iodo-2-nitrophenyl)pyrrolidin-2-one
CID 168505350
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-(2-amino-4-chloro-5-methylphenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504385
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505656
4-(bromomethyl)-1-(3,5-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168505634

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one (CID 168505260) is 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is MIUWOBAQYDIFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2Cl2NO/c12-4-6-1-11(17)16(5-6)10-3-8(14)7(13)2-9(10)15/h2-3,6H,1,4-5H2.
What are the key properties of 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 401.91 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168505260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).