3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide

C11H14F2N2O3 — CID 114144924

IUPAC3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-17-9(6-14)10(16)15-7-3-2-4-8(5-7)18-11(12)13/h2-5,9,11H,6,14H2,1H3,(H,15,16)
InChIKeyDBJXXAXBROEUCL-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.20
Rot. Bonds6

About 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide

3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide (PubChem CID 114144924) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
PubChem CID114144924
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-17-9(6-14)10(16)15-7-3-2-4-8(5-7)18-11(12)13/h2-5,9,11H,6,14H2,1H3,(H,15,16)
InChIKeyDBJXXAXBROEUCL-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide (CID 114144924) is 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide is COC(CN)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide?
The InChIKey is DBJXXAXBROEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-17-9(6-14)10(16)15-7-3-2-4-8(5-7)18-11(12)13/h2-5,9,11H,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide?
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide has a molecular weight of 260.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 114144924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).