[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate

C20H22F2N2O3 — CID 9483568

IUPAC[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate
SMILESCCN(CCNC(=O)COC(=O)c1ccc(F)c(F)c1)c1cccc(C)c1
InChIInChI=1S/C20H22F2N2O3/c1-3-24(16-6-4-5-14(2)11-16)10-9-23-19(25)13-27-20(26)15-7-8-17(21)18(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,25)
InChIKeyZWSUYNUZLSDHJI-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.07
Rot. Bonds8

About [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate

[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate (PubChem CID 9483568) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate.

Molecular Properties

Compound Name[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate
PubChem CID9483568
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate
SMILESCCN(CCNC(=O)COC(=O)c1ccc(F)c(F)c1)c1cccc(C)c1
InChIInChI=1S/C20H22F2N2O3/c1-3-24(16-6-4-5-14(2)11-16)10-9-23-19(25)13-27-20(26)15-7-8-17(21)18(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,25)
InChIKeyZWSUYNUZLSDHJI-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate with MolForge

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 46673965

Frequently Asked Questions

What is the IUPAC name of [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate?
The IUPAC name of [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate (CID 9483568) is [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate.
What is the SMILES notation for [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate?
The canonical SMILES for [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate is CCN(CCNC(=O)COC(=O)c1ccc(F)c(F)c1)c1cccc(C)c1.
What is the InChIKey of [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate?
The InChIKey is ZWSUYNUZLSDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-3-24(16-6-4-5-14(2)11-16)10-9-23-19(25)13-27-20(26)15-7-8-17(21)18(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate?
[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate has a molecular weight of 376.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3,4-difluorobenzoate is sourced from PubChem (CID 9483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).