N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide

C11H14F2N2O2 — CID 130318592

IUPACN-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(N)cccc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-10(16)15-17-6-8-7(11(12)13)4-3-5-9(8)14/h3-5,11H,2,6,14H2,1H3,(H,15,16)
InChIKeyPUOWYVKXWHWRRF-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.16
Rot. Bonds5

About N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide

N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide (PubChem CID 130318592) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
PubChem CID130318592
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(N)cccc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-10(16)15-17-6-8-7(11(12)13)4-3-5-9(8)14/h3-5,11H,2,6,14H2,1H3,(H,15,16)
InChIKeyPUOWYVKXWHWRRF-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
[2-amino-6-(difluoromethyl)phenyl]methyl (Z)-N-ethyl-2-methylbut-2-enimidate
CID 134547923
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
CID 130318288
3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144783854
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
CID 136997030
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
CID 174277979
N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
CID 130318560
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
CID 90192878

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide?
The IUPAC name of N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide (CID 130318592) is N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide is CCC(=O)NOCc1c(N)cccc1C(F)F.
What is the InChIKey of N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide?
The InChIKey is PUOWYVKXWHWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-10(16)15-17-6-8-7(11(12)13)4-3-5-9(8)14/h3-5,11H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide?
N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide has a molecular weight of 244.24 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide is sourced from PubChem (CID 130318592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).