4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide

C19H17F3N2O3 — CID 35203584

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-5-2-1-4-15(16)23-18(26)14-9-7-13(8-10-14)12-24-11-3-6-17(24)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,26)
InChIKeyZXNBPDSYXIVRIM-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.96
Rot. Bonds5

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 35203584) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID35203584
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-5-2-1-4-15(16)23-18(26)14-9-7-13(8-10-14)12-24-11-3-6-17(24)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,26)
InChIKeyZXNBPDSYXIVRIM-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
CID 28566722
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 35203584) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ZXNBPDSYXIVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-5-2-1-4-15(16)23-18(26)14-9-7-13(8-10-14)12-24-11-3-6-17(24)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,26).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 378.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 35203584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).