1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one

C11H10Br2ClNO — CID 168505646

IUPAC1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(13)4-9(10)14/h1-2,4,7H,3,5-6H2
InChIKeyZILNIJYBFCMILW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one

1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168505646) has the molecular formula C11H10Br2ClNO and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168505646
Molecular FormulaC11H10Br2ClNO
Molecular Weight367.47 g/mol
Exact Mass364.88
IUPAC Name1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(13)4-9(10)14/h1-2,4,7H,3,5-6H2
InChIKeyZILNIJYBFCMILW-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505260
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505649
1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505656
1-(2-amino-4-iodophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505712
1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505696
1-(2-amino-3,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506024
1-(5-bromo-2-iodophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508723
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-(2-amino-4-chloro-5-methylphenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504385
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-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one (CID 168505646) is 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is ZILNIJYBFCMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(13)4-9(10)14/h1-2,4,7H,3,5-6H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.85, 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-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168505646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).