3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C13H15F3N2O4 — CID 51166529

IUPAC3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C13H15F3N2O4/c1-21-9-4-3-8(5-10(9)22-2)12(20)17-6-11(19)18-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMDONZWGEQDSDBB-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.11
Rot. Bonds6

About 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 51166529) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID51166529
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C13H15F3N2O4/c1-21-9-4-3-8(5-10(9)22-2)12(20)17-6-11(19)18-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMDONZWGEQDSDBB-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
CID 47066065
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 51166529) is 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is MDONZWGEQDSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c1-21-9-4-3-8(5-10(9)22-2)12(20)17-6-11(19)18-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 320.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 51166529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).