3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide

C20H20F3N3O6 — CID 26676496

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC
InChIInChI=1S/C20H20F3N3O6/c1-30-13-6-10(7-14(31-2)19(13)32-3)20(29)25-8-15(27)24-9-16(28)26-12-5-4-11(21)17(22)18(12)23/h4-7H,8-9H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyLTONIIMUALIFJP-UHFFFAOYSA-N
MW455.39 g/mol
LogP1.61
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide (PubChem CID 26676496) has the molecular formula C20H20F3N3O6 and a molecular weight of 455.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
PubChem CID26676496
Molecular FormulaC20H20F3N3O6
Molecular Weight455.39 g/mol
Exact Mass455.13
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC
InChIInChI=1S/C20H20F3N3O6/c1-30-13-6-10(7-14(31-2)19(13)32-3)20(29)25-8-15(27)24-9-16(28)26-12-5-4-11(21)17(22)18(12)23/h4-7H,8-9H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyLTONIIMUALIFJP-UHFFFAOYSA-N
XLogP1.61
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
CID 27813309
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109337
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide (CID 26676496) is 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide?
The InChIKey is LTONIIMUALIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O6/c1-30-13-6-10(7-14(31-2)19(13)32-3)20(29)25-8-15(27)24-9-16(28)26-12-5-4-11(21)17(22)18(12)23/h4-7H,8-9H2,1-3H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 26676496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).