[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

C13H18F2N3O2+ — CID 8712228

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H17F2N3O2/c1-17(2)13(20)8-18(3)7-12(19)16-11-6-9(14)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,16,19)/p+1
InChIKeyRIVPFZBTRQNRGX-UHFFFAOYSA-O
MW286.30 g/mol
LogP-0.49
Rot. Bonds5

About [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8712228) has the molecular formula C13H18F2N3O2+ and a molecular weight of 286.30 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8712228
Molecular FormulaC13H18F2N3O2+
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H17F2N3O2/c1-17(2)13(20)8-18(3)7-12(19)16-11-6-9(14)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,16,19)/p+1
InChIKeyRIVPFZBTRQNRGX-UHFFFAOYSA-O
XLogP-0.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
[2-(2,5-difluoroanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9199222
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
[2-(2-bromoanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712106
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
CID 8712032
1,3-benzothiazol-2-ylmethyl-[2-(2,5-difluoroanilino)-2-oxoethyl]-methylazanium
CID 8802166
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712458
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8712228) is [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is CN(C)C(=O)C[NH+](C)CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is RIVPFZBTRQNRGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17F2N3O2/c1-17(2)13(20)8-18(3)7-12(19)16-11-6-9(14)4-5-10(11)15/h4-6H,7-8H2,1-3H3,(H,16,19)/p+1.
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 286.30 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8712228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).