N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide

C13H18F2N2O2 — CID 103205444

IUPACN-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCCc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c14-12(15)9-19-8-6-13(18)17-11-3-1-10(2-4-11)5-7-16/h1-4,12H,5-9,16H2,(H,17,18)
InChIKeyRMXPOPVERWJCCA-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.80
Rot. Bonds8

About N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide

N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205444) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205444
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCCc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c14-12(15)9-19-8-6-13(18)17-11-3-1-10(2-4-11)5-7-16/h1-4,12H,5-9,16H2,(H,17,18)
InChIKeyRMXPOPVERWJCCA-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 103211679
N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
CID 103208726
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
CID 103205841
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
2-chloro-5-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205870
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide (CID 103205444) is N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide is NCCc1ccc(NC(=O)CCOCC(F)F)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is RMXPOPVERWJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-12(15)9-19-8-6-13(18)17-11-3-1-10(2-4-11)5-7-16/h1-4,12H,5-9,16H2,(H,17,18).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide?
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 272.30 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).