N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide

C13H17F2NO3 — CID 112685807

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-8(16-12(17)9(2)18-3)10-6-4-5-7-11(10)19-13(14)15/h4-9,13H,1-3H3,(H,16,17)
InChIKeyVPWVFLUIRBDJQV-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.50
Rot. Bonds6

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide (PubChem CID 112685807) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
PubChem CID112685807
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-8(16-12(17)9(2)18-3)10-6-4-5-7-11(10)19-13(14)15/h4-9,13H,1-3H3,(H,16,17)
InChIKeyVPWVFLUIRBDJQV-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674056
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide (CID 112685807) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide is COC(C)C(=O)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide?
The InChIKey is VPWVFLUIRBDJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-8(16-12(17)9(2)18-3)10-6-4-5-7-11(10)19-13(14)15/h4-9,13H,1-3H3,(H,16,17).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide has a molecular weight of 273.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide is sourced from PubChem (CID 112685807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).