2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H21ClF2N2O2 — CID 120787345

IUPAC2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCc1c(F)cccc1F)C1CCOCC1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-12-2-1-3-13(17)11(12)4-7-19-15(20)14(18)10-5-8-21-9-6-10;/h1-3,10,14H,4-9,18H2,(H,19,20);1H
InChIKeyJEWGYBBYHCURJW-UHFFFAOYSA-N
MW334.79 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787345) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787345
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCc1c(F)cccc1F)C1CCOCC1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-12-2-1-3-13(17)11(12)4-7-19-15(20)14(18)10-5-8-21-9-6-10;/h1-3,10,14H,4-9,18H2,(H,19,20);1H
InChIKeyJEWGYBBYHCURJW-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 120785624
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787345) is 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCCc1c(F)cccc1F)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is JEWGYBBYHCURJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c16-12-2-1-3-13(17)11(12)4-7-19-15(20)14(18)10-5-8-21-9-6-10;/h1-3,10,14H,4-9,18H2,(H,19,20);1H.
What are the key properties of 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).