2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride

C15H23ClF2N2O2 — CID 119768212

IUPAC2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-4-9(2)14(18)15(20)19-11-6-5-10(3)12(7-11)21-8-13(16)17;/h5-7,9,13-14H,4,8,18H2,1-3H3,(H,19,20);1H
InChIKeyVTCHTDBBFPMKST-UHFFFAOYSA-N
MW336.81 g/mol
LogP3.37
Rot. Bonds7

About 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119768212) has the molecular formula C15H23ClF2N2O2 and a molecular weight of 336.81 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
PubChem CID119768212
Molecular FormulaC15H23ClF2N2O2
Molecular Weight336.81 g/mol
Exact Mass336.14
IUPAC Name2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-4-9(2)14(18)15(20)19-11-6-5-10(3)12(7-11)21-8-13(16)17;/h5-7,9,13-14H,4,8,18H2,1-3H3,(H,19,20);1H
InChIKeyVTCHTDBBFPMKST-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.81
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119669009
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 122157649
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119675207
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride (CID 119768212) is 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is VTCHTDBBFPMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2.ClH/c1-4-9(2)14(18)15(20)19-11-6-5-10(3)12(7-11)21-8-13(16)17;/h5-7,9,13-14H,4,8,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 336.81 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119768212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).