4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one

C11H10Br2ClNO — CID 168508786

IUPAC4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H10Br2ClNO/c12-9-2-1-8(4-10(9)13)15-6-7(5-14)3-11(15)16/h1-2,4,7H,3,5-6H2
InChIKeyFMMQVUXCZDWZNQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.80
Rot. Bonds2

About 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one (PubChem CID 168508786) has the molecular formula C11H10Br2ClNO and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
PubChem CID168508786
Molecular FormulaC11H10Br2ClNO
Molecular Weight367.47 g/mol
Exact Mass364.88
IUPAC Name4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H10Br2ClNO/c12-9-2-1-8(4-10(9)13)15-6-7(5-14)3-11(15)16/h1-2,4,7H,3,5-6H2
InChIKeyFMMQVUXCZDWZNQ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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

4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509018
4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168508813
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
4-(chloromethyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 168507625
4-(bromomethyl)-1-(4-bromo-3-nitrophenyl)pyrrolidin-2-one
CID 168505528
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
4-(chloromethyl)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168509492

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one (CID 168508786) is 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(Br)c(Br)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one?
The InChIKey is FMMQVUXCZDWZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClNO/c12-9-2-1-8(4-10(9)13)15-6-7(5-14)3-11(15)16/h1-2,4,7H,3,5-6H2.
What are the key properties of 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168508786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).