1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one

C11H10BrClFNO — CID 168509018

IUPAC1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(F)cc1Br
InChIInChI=1S/C11H10BrClFNO/c12-9-4-8(14)1-2-10(9)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6H2
InChIKeyBMIVMUYUPKEQFS-UHFFFAOYSA-N
MW306.56 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one

1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (PubChem CID 168509018) has the molecular formula C11H10BrClFNO and a molecular weight of 306.56 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
PubChem CID168509018
Molecular FormulaC11H10BrClFNO
Molecular Weight306.56 g/mol
Exact Mass304.96
IUPAC Name1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(F)cc1Br
InChIInChI=1S/C11H10BrClFNO/c12-9-4-8(14)1-2-10(9)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6H2
InChIKeyBMIVMUYUPKEQFS-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 53.18
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-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505696
3-bromo-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168508998
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
1-(2-bromo-3,4-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508533
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508593
1-(2-amino-6-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509368
4-(chloromethyl)-1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-one
CID 168508754
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
1-(2-amino-3,5-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509375
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
1-(5-bromo-2-iodophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508723

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (CID 168509018) is 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The InChIKey is BMIVMUYUPKEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO/c12-9-4-8(14)1-2-10(9)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one has a molecular weight of 306.56 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 168509018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).