2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H21ClF2N2O3 — CID 120784359

IUPAC2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(OC(F)F)cc1)C1CCOCC1
InChIInChI=1S/C15H20F2N2O3.ClH/c16-15(17)22-12-3-1-10(2-4-12)9-19-14(20)13(18)11-5-7-21-8-6-11;/h1-4,11,13,15H,5-9,18H2,(H,19,20);1H
InChIKeyFTDDMRCNYONCHZ-UHFFFAOYSA-N
MW350.79 g/mol
LogP2.08
Rot. Bonds6

About 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784359) has the molecular formula C15H21ClF2N2O3 and a molecular weight of 350.79 g/mol. Its IUPAC name is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784359
Molecular FormulaC15H21ClF2N2O3
Molecular Weight350.79 g/mol
Exact Mass350.12
IUPAC Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(OC(F)F)cc1)C1CCOCC1
InChIInChI=1S/C15H20F2N2O3.ClH/c16-15(17)22-12-3-1-10(2-4-12)9-19-14(20)13(18)11-5-7-21-8-6-11;/h1-4,11,13,15H,5-9,18H2,(H,19,20);1H
InChIKeyFTDDMRCNYONCHZ-UHFFFAOYSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
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-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
2-amino-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787149
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784359) is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1ccc(OC(F)F)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FTDDMRCNYONCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3.ClH/c16-15(17)22-12-3-1-10(2-4-12)9-19-14(20)13(18)11-5-7-21-8-6-11;/h1-4,11,13,15H,5-9,18H2,(H,19,20);1H.
What are the key properties of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 350.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).