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

C13H18ClF3N2O2 — CID 119734387

IUPAC2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(OC(F)F)c(F)c1.Cl
InChIInChI=1S/C13H17F3N2O2.ClH/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16;/h4-7,11,13H,3,17H2,1-2H3,(H,18,19);1H
InChIKeyZCIPVYQVLGOXPP-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.16
Rot. Bonds6

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

2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119734387) has the molecular formula C13H18ClF3N2O2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
PubChem CID119734387
Molecular FormulaC13H18ClF3N2O2
Molecular Weight326.75 g/mol
Exact Mass326.10
IUPAC Name2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(OC(F)F)c(F)c1.Cl
InChIInChI=1S/C13H17F3N2O2.ClH/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16;/h4-7,11,13H,3,17H2,1-2H3,(H,18,19);1H
InChIKeyZCIPVYQVLGOXPP-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride (CID 119734387) is 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(OC(F)F)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is ZCIPVYQVLGOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2.ClH/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16;/h4-7,11,13H,3,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 326.75 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119734387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).