N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C13H16F3NO4 — CID 18105578

IUPACN-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C13H16F3NO4/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-11(18)17-7-13(14,15)16/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKeyKTANEFBIEVJTQF-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.93
Rot. Bonds6

About N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 18105578) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID18105578
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC NameN-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C13H16F3NO4/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-11(18)17-7-13(14,15)16/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKeyKTANEFBIEVJTQF-UHFFFAOYSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607351
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 18105718
di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
CID 8919196
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 18105578) is N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC(F)(F)F)cc(OC)c1OC.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is KTANEFBIEVJTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-11(18)17-7-13(14,15)16/h4-5H,6-7H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 307.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18105578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).