1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one

C16H11BrF3NO — CID 118368403

IUPAC1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2
InChIKeyCSYOLVARNPGCLZ-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one

1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 118368403) has the molecular formula C16H11BrF3NO and a molecular weight of 370.17 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID118368403
Molecular FormulaC16H11BrF3NO
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2
InChIKeyCSYOLVARNPGCLZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
CID 885971
4-Ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18772493
1-[(4-Bromophenyl)acetyl]-4-(4-fluorophenyl)piperazine
CID 1212246
5-bromo-3-(2-fluorobenzyl)-1,3-dihydro-2H-indol-2-one
CID 2994360
N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 46902939
N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide
CID 46902963
4-Ethyl-3-(3-fluorophenyl)-1-phenylpyrrolidin-2-one
CID 76308903
3,5-difluoro-1-(2-phenylethyl)-3H-indol-2-one
CID 168291248
N-(4-bromo-2-fluorophenyl)-2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 16031629
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide
CID 2449922
2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
CID 46902941
2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide
CID 46902945

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one (CID 118368403) is 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one is O=C1C(c2ccc(F)c(F)c2)CCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is CSYOLVARNPGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3NO/c17-12-3-2-10(8-14(12)19)21-6-5-11(16(21)22)9-1-4-13(18)15(20)7-9/h1-4,7-8,11H,5-6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one?
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 370.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 118368403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).