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

C19H16ClF3N2O2 — CID 35151310

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H16ClF3N2O2/c20-14-6-7-15(16(10-14)25-8-2-5-17(25)26)18(27)24-11-12-3-1-4-13(9-12)19(21,22)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,24,27)
InChIKeyWTJLDOKQFGNDIB-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 35151310) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID35151310
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H16ClF3N2O2/c20-14-6-7-15(16(10-14)25-8-2-5-17(25)26)18(27)24-11-12-3-1-4-13(9-12)19(21,22)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,24,27)
InChIKeyWTJLDOKQFGNDIB-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 35151310) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WTJLDOKQFGNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c20-14-6-7-15(16(10-14)25-8-2-5-17(25)26)18(27)24-11-12-3-1-4-13(9-12)19(21,22)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,24,27).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 396.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35151310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).