N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide

C10H11F3N2O2 — CID 82004220

IUPACN-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COCC(F)F
InChIInChI=1S/C10H11F3N2O2/c11-6-1-2-8(7(14)3-6)15-10(16)5-17-4-9(12)13/h1-3,9H,4-5,14H2,(H,15,16)
InChIKeyAZLGLQPUZOWCFS-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.63
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide

N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide (PubChem CID 82004220) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
PubChem CID82004220
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COCC(F)F
InChIInChI=1S/C10H11F3N2O2/c11-6-1-2-8(7(14)3-6)15-10(16)5-17-4-9(12)13/h1-3,9H,4-5,14H2,(H,15,16)
InChIKeyAZLGLQPUZOWCFS-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
CID 28995587
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
CID 65203389

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide (CID 82004220) is N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide is Nc1cc(F)ccc1NC(=O)COCC(F)F.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide?
The InChIKey is AZLGLQPUZOWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-6-1-2-8(7(14)3-6)15-10(16)5-17-4-9(12)13/h1-3,9H,4-5,14H2,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide?
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide has a molecular weight of 248.20 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide is sourced from PubChem (CID 82004220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).