4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride

C13H19ClF2N2O2 — CID 120563816

IUPAC4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1OCC(F)F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-9(16)6-7-13(18)17-10-4-2-3-5-11(10)19-8-12(14)15;/h2-5,9,12H,6-8,16H2,1H3,(H,17,18);1H
InChIKeyVFBFIROZDOOOEH-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.82
Rot. Bonds7

About 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride

4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride (PubChem CID 120563816) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
PubChem CID120563816
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1OCC(F)F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-9(16)6-7-13(18)17-10-4-2-3-5-11(10)19-8-12(14)15;/h2-5,9,12H,6-8,16H2,1H3,(H,17,18);1H
InChIKeyVFBFIROZDOOOEH-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride (CID 120563816) is 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1ccccc1OCC(F)F.Cl.
What is the InChIKey of 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is VFBFIROZDOOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2.ClH/c1-9(16)6-7-13(18)17-10-4-2-3-5-11(10)19-8-12(14)15;/h2-5,9,12H,6-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride?
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).