(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride

C13H19ClF2N2O2 — CID 119707765

IUPAC(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-8(2)6-11(16)12(18)17-9-4-3-5-10(7-9)19-13(14)15;/h3-5,7-8,11,13H,6,16H2,1-2H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyPZDIOSOUUSJHAB-MERQFXBCSA-N
MW308.76 g/mol
LogP3.02
Rot. Bonds6

About (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride (PubChem CID 119707765) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
PubChem CID119707765
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-8(2)6-11(16)12(18)17-9-4-3-5-10(7-9)19-13(14)15;/h3-5,7-8,11,13H,6,16H2,1-2H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyPZDIOSOUUSJHAB-MERQFXBCSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
CID 104902849
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride (CID 119707765) is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride?
The InChIKey is PZDIOSOUUSJHAB-MERQFXBCSA-N. The full InChI is InChI=1S/C13H18F2N2O2.ClH/c1-8(2)6-11(16)12(18)17-9-4-3-5-10(7-9)19-13(14)15;/h3-5,7-8,11,13H,6,16H2,1-2H3,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).