N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide

C17H15F3N2O2 — CID 26887208

IUPACN-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)14-8-4-5-12(9-14)10-21-15(23)11-22-16(24)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24)
InChIKeyPWEKEPFUGGAKSP-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.75
Rot. Bonds5

About N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide

N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 26887208) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID26887208
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)14-8-4-5-12(9-14)10-21-15(23)11-22-16(24)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24)
InChIKeyPWEKEPFUGGAKSP-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
4-methylsulfanyl-3-nitro-N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887134
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide (CID 26887208) is N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is PWEKEPFUGGAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)14-8-4-5-12(9-14)10-21-15(23)11-22-16(24)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 26887208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).