3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide

C11H13F2N3O3 — CID 106174311

IUPAC3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H13F2N3O3/c12-6-2-1-3-7(13)10(6)16-9(18)5-15-4-8(17)11(14)19/h1-3,8,15,17H,4-5H2,(H2,14,19)(H,16,18)
InChIKeyOHRGVKCSPJAJAJ-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.66
Rot. Bonds6

About 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide

3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide (PubChem CID 106174311) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
PubChem CID106174311
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H13F2N3O3/c12-6-2-1-3-7(13)10(6)16-9(18)5-15-4-8(17)11(14)19/h1-3,8,15,17H,4-5H2,(H2,14,19)(H,16,18)
InChIKeyOHRGVKCSPJAJAJ-UHFFFAOYSA-N
XLogP-0.66
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66170795
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
CID 106115065
2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745436
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide (CID 106174311) is 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The InChIKey is OHRGVKCSPJAJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c12-6-2-1-3-7(13)10(6)16-9(18)5-15-4-8(17)11(14)19/h1-3,8,15,17H,4-5H2,(H2,14,19)(H,16,18).
What are the key properties of 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide has a molecular weight of 273.24 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).