N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide

C11H14F2N2O3 — CID 107697254

IUPACN-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cc(O)ccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C11H14F2N2O3/c12-10(13)6-18-4-3-11(17)15-9-2-1-7(16)5-8(9)14/h1-2,5,10,16H,3-4,6,14H2,(H,15,17)
InChIKeyNLAGDYIGWUIYKO-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.58
Rot. Bonds6

About N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide

N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 107697254) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID107697254
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cc(O)ccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C11H14F2N2O3/c12-10(13)6-18-4-3-11(17)15-9-2-1-7(16)5-8(9)14/h1-2,5,10,16H,3-4,6,14H2,(H,15,17)
InChIKeyNLAGDYIGWUIYKO-UHFFFAOYSA-N
XLogP1.58
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-3-methoxypropanamide
CID 107697634
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
CID 107697356
4-chloro-2-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205775
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209921
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide (CID 107697254) is N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide is Nc1cc(O)ccc1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is NLAGDYIGWUIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-10(13)6-18-4-3-11(17)15-9-2-1-7(16)5-8(9)14/h1-2,5,10,16H,3-4,6,14H2,(H,15,17).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 260.24 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 107697254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).