N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide

C13H18F2N2O2 — CID 103205523

IUPACN-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)F)c1ccc(N)cc1
InChIInChI=1S/C13H18F2N2O2/c1-9(10-2-4-11(16)5-3-10)17-13(18)6-7-19-8-12(14)15/h2-5,9,12H,6-8,16H2,1H3,(H,17,18)
InChIKeyAXSNXNVFFFWAPG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.12
Rot. Bonds7

About N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide

N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205523) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205523
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)F)c1ccc(N)cc1
InChIInChI=1S/C13H18F2N2O2/c1-9(10-2-4-11(16)5-3-10)17-13(18)6-7-19-8-12(14)15/h2-5,9,12H,6-8,16H2,1H3,(H,17,18)
InChIKeyAXSNXNVFFFWAPG-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-(2-bromo-1-phenylethyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212491
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
1-(4-aminophenyl)ethylurea
CID 43298080
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide (CID 103205523) is N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide is CC(NC(=O)CCOCC(F)F)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is AXSNXNVFFFWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(10-2-4-11(16)5-3-10)17-13(18)6-7-19-8-12(14)15/h2-5,9,12H,6-8,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide?
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 272.30 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).