N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C22H25F2N3O6 — CID 38370231

IUPACN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H25F2N3O6/c1-5-27(12-18(28)26-20-14(23)7-6-8-15(20)24)19(29)11-25-22(30)13-9-16(31-2)21(33-4)17(10-13)32-3/h6-10H,5,11-12H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyJXDALOYJWFAXAW-UHFFFAOYSA-N
MW465.45 g/mol
LogP2.21
Rot. Bonds10

About N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 38370231) has the molecular formula C22H25F2N3O6 and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID38370231
Molecular FormulaC22H25F2N3O6
Molecular Weight465.45 g/mol
Exact Mass465.17
IUPAC NameN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H25F2N3O6/c1-5-27(12-18(28)26-20-14(23)7-6-8-15(20)24)19(29)11-25-22(30)13-9-16(31-2)21(33-4)17(10-13)32-3/h6-10H,5,11-12H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyJXDALOYJWFAXAW-UHFFFAOYSA-N
XLogP2.21
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 30794603
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N-[3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 24982594
4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55394910

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 38370231) is N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JXDALOYJWFAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O6/c1-5-27(12-18(28)26-20-14(23)7-6-8-15(20)24)19(29)11-25-22(30)13-9-16(31-2)21(33-4)17(10-13)32-3/h6-10H,5,11-12H2,1-4H3,(H,25,30)(H,26,28).
What are the key properties of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 465.45 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 38370231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).