3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide

C19H19F3N2O2 — CID 60560548

IUPAC3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)26-17-9-2-1-8-16(17)23-18(25)15-7-5-6-14(12-15)13-24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,25)
InChIKeyNCLLDBXGLJIEAA-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.43
Rot. Bonds5

About 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide

3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 60560548) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID60560548
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)26-17-9-2-1-8-16(17)23-18(25)15-7-5-6-14(12-15)13-24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,25)
InChIKeyNCLLDBXGLJIEAA-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920263
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 60560548) is 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)(F)F)c1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NCLLDBXGLJIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)26-17-9-2-1-8-16(17)23-18(25)15-7-5-6-14(12-15)13-24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,25).
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 60560548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).