2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid

C13H16F2N2O3 — CID 61008696

IUPAC2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-6-17(8-12(19)20)7-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyCYGSXNMNRJABGO-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.70
Rot. Bonds7

About 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid

2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61008696) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61008696
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-6-17(8-12(19)20)7-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyCYGSXNMNRJABGO-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
CID 108952519
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008517
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008368
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007558
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid (CID 61008696) is 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is CYGSXNMNRJABGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-6-17(8-12(19)20)7-11(18)16-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 286.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid is sourced from PubChem (CID 61008696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).