N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide

C14H19F2NO3 — CID 103770508

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(O)C(F)F)c1C
InChIInChI=1S/C14H19F2NO3/c1-9-4-3-5-12(10(9)2)20-7-6-13(19)17-8-11(18)14(15)16/h3-5,11,14,18H,6-8H2,1-2H3,(H,17,19)
InChIKeyJARKQSLGIKGSLG-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.81
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 103770508) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
PubChem CID103770508
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(O)C(F)F)c1C
InChIInChI=1S/C14H19F2NO3/c1-9-4-3-5-12(10(9)2)20-7-6-13(19)17-8-11(18)14(15)16/h3-5,11,14,18H,6-8H2,1-2H3,(H,17,19)
InChIKeyJARKQSLGIKGSLG-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31885031
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
2-[3-(2,3-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084679
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119608882
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide (CID 103770508) is N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC(O)C(F)F)c1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is JARKQSLGIKGSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-9-4-3-5-12(10(9)2)20-7-6-13(19)17-8-11(18)14(15)16/h3-5,11,14,18H,6-8H2,1-2H3,(H,17,19).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 287.31 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 103770508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).