2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide

C12H16F2N2O2 — CID 43709973

IUPAC2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-7(15)11(17)16-8(2)9-5-3-4-6-10(9)18-12(13)14/h3-8,12H,15H2,1-2H3,(H,16,17)
InChIKeyVYCNTTGGLUHNBV-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.81
Rot. Bonds5

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

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide (PubChem CID 43709973) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
PubChem CID43709973
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-7(15)11(17)16-8(2)9-5-3-4-6-10(9)18-12(13)14/h3-8,12H,15H2,1-2H3,(H,16,17)
InChIKeyVYCNTTGGLUHNBV-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
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
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 79797474
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide (CID 43709973) is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide is CC(N)C(=O)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide?
The InChIKey is VYCNTTGGLUHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(15)11(17)16-8(2)9-5-3-4-6-10(9)18-12(13)14/h3-8,12H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide?
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide has a molecular weight of 258.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 43709973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).