3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide

C20H19F3N2O4 — CID 27813309

IUPAC3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O4/c1-4-5-11-8-12(9-15(28-2)19(11)29-3)20(27)24-10-16(26)25-14-7-6-13(21)17(22)18(14)23/h4,6-9H,1,5,10H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyHCUQINTZIJHAPD-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.22
Rot. Bonds8

About 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide

3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide (PubChem CID 27813309) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
PubChem CID27813309
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O4/c1-4-5-11-8-12(9-15(28-2)19(11)29-3)20(27)24-10-16(26)25-14-7-6-13(21)17(22)18(14)23/h4,6-9H,1,5,10H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyHCUQINTZIJHAPD-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109337
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide (CID 27813309) is 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide?
The InChIKey is HCUQINTZIJHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-4-5-11-8-12(9-15(28-2)19(11)29-3)20(27)24-10-16(26)25-14-7-6-13(21)17(22)18(14)23/h4,6-9H,1,5,10H2,2-3H3,(H,24,27)(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide has a molecular weight of 408.38 g/mol, XLogP of 3.22, 8 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-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide is sourced from PubChem (CID 27813309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).