N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide

C19H19F3N2O2 — CID 42910697

IUPACN-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3N2O2/c1-13(14-5-3-2-4-6-14)11-23-17(25)12-24-18(26)15-7-9-16(10-8-15)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyJECNREYQQSOTME-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.36
Rot. Bonds6

About N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide

N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42910697) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID42910697
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3N2O2/c1-13(14-5-3-2-4-6-14)11-23-17(25)12-24-18(26)15-7-9-16(10-8-15)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyJECNREYQQSOTME-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 26795770
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 42910697) is N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide is CC(CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JECNREYQQSOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13(14-5-3-2-4-6-14)11-23-17(25)12-24-18(26)15-7-9-16(10-8-15)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42910697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).