3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide

C12H16F2N2O3 — CID 119319079

IUPAC3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
SMILESNCCC(=O)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3/c13-10-2-1-9(5-11(10)14)19-7-8(17)6-16-12(18)3-4-15/h1-2,5,8,17H,3-4,6-7,15H2,(H,16,18)
InChIKeyVQWUDRGFDPLMKZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.17
Rot. Bonds7

About 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide

3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide (PubChem CID 119319079) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
PubChem CID119319079
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
SMILESNCCC(=O)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3/c13-10-2-1-9(5-11(10)14)19-7-8(17)6-16-12(18)3-4-15/h1-2,5,8,17H,3-4,6-7,15H2,(H,16,18)
InChIKeyVQWUDRGFDPLMKZ-UHFFFAOYSA-N
XLogP0.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
CID 111102907
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide (CID 119319079) is 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide is NCCC(=O)NCC(O)COc1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide?
The InChIKey is VQWUDRGFDPLMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c13-10-2-1-9(5-11(10)14)19-7-8(17)6-16-12(18)3-4-15/h1-2,5,8,17H,3-4,6-7,15H2,(H,16,18).
What are the key properties of 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide?
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide has a molecular weight of 274.27 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 119319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).