4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide

C13H12BrF3N2O2 — CID 103925282

IUPAC4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)cc2C(F)(F)F)N1
InChIInChI=1S/C13H12BrF3N2O2/c14-7-1-3-9(10(5-7)13(15,16)17)12(21)18-6-8-2-4-11(20)19-8/h1,3,5,8H,2,4,6H2,(H,18,21)(H,19,20)
InChIKeyVAFSUKFTZGKRLY-UHFFFAOYSA-N
MW365.15 g/mol
LogP2.48
Rot. Bonds3

About 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide

4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 103925282) has the molecular formula C13H12BrF3N2O2 and a molecular weight of 365.15 g/mol. Its IUPAC name is 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID103925282
Molecular FormulaC13H12BrF3N2O2
Molecular Weight365.15 g/mol
Exact Mass364.00
IUPAC Name4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)cc2C(F)(F)F)N1
InChIInChI=1S/C13H12BrF3N2O2/c14-7-1-3-9(10(5-7)13(15,16)17)12(21)18-6-8-2-4-11(20)19-8/h1,3,5,8H,2,4,6H2,(H,18,21)(H,19,20)
InChIKeyVAFSUKFTZGKRLY-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 107030755
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 103925282) is 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C1CCC(CNC(=O)c2ccc(Br)cc2C(F)(F)F)N1.
What is the InChIKey of 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VAFSUKFTZGKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O2/c14-7-1-3-9(10(5-7)13(15,16)17)12(21)18-6-8-2-4-11(20)19-8/h1,3,5,8H,2,4,6H2,(H,18,21)(H,19,20).
What are the key properties of 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 365.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).