2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C19H16BrF3N2O2 — CID 5072378

IUPAC2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16BrF3N2O2/c20-16-8-2-1-7-15(16)18(27)25(12-24-10-4-9-17(24)26)14-6-3-5-13(11-14)19(21,22)23/h1-3,5-8,11H,4,9-10,12H2
InChIKeyZALPARGIKKXCQW-UHFFFAOYSA-N
MW441.25 g/mol
LogP4.69
Rot. Bonds4

About 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 5072378) has the molecular formula C19H16BrF3N2O2 and a molecular weight of 441.25 g/mol. Its IUPAC name is 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID5072378
Molecular FormulaC19H16BrF3N2O2
Molecular Weight441.25 g/mol
Exact Mass440.03
IUPAC Name2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16BrF3N2O2/c20-16-8-2-1-7-15(16)18(27)25(12-24-10-4-9-17(24)26)14-6-3-5-13(11-14)19(21,22)23/h1-3,5-8,11H,4,9-10,12H2
InChIKeyZALPARGIKKXCQW-UHFFFAOYSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3644568
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079
N-(1,3-benzothiazol-2-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029
N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 4986891
2-ethoxy-N-(4-methoxyphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4114456

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 5072378) is 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C1CCCN1CN(C(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZALPARGIKKXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N2O2/c20-16-8-2-1-7-15(16)18(27)25(12-24-10-4-9-17(24)26)14-6-3-5-13(11-14)19(21,22)23/h1-3,5-8,11H,4,9-10,12H2.
What are the key properties of 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 441.25 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5072378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).