2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H25ClF2N2O3 — CID 120790835

IUPAC2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCCc2cc(OC(F)F)ccc21)C1CCOCC1
InChIInChI=1S/C18H24F2N2O3.ClH/c19-18(20)25-13-4-5-14-12(10-13)2-1-3-15(14)22-17(23)16(21)11-6-8-24-9-7-11;/h4-5,10-11,15-16,18H,1-3,6-9,21H2,(H,22,23);1H
InChIKeyAYHHGBWZWLWJBE-UHFFFAOYSA-N
MW390.86 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120790835) has the molecular formula C18H25ClF2N2O3 and a molecular weight of 390.86 g/mol. Its IUPAC name is 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120790835
Molecular FormulaC18H25ClF2N2O3
Molecular Weight390.86 g/mol
Exact Mass390.15
IUPAC Name2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCCc2cc(OC(F)F)ccc21)C1CCOCC1
InChIInChI=1S/C18H24F2N2O3.ClH/c19-18(20)25-13-4-5-14-12(10-13)2-1-3-15(14)22-17(23)16(21)11-6-8-24-9-7-11;/h4-5,10-11,15-16,18H,1-3,6-9,21H2,(H,22,23);1H
InChIKeyAYHHGBWZWLWJBE-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789365
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119760687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120790835) is 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCCc2cc(OC(F)F)ccc21)C1CCOCC1.
What is the InChIKey of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is AYHHGBWZWLWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3.ClH/c19-18(20)25-13-4-5-14-12(10-13)2-1-3-15(14)22-17(23)16(21)11-6-8-24-9-7-11;/h4-5,10-11,15-16,18H,1-3,6-9,21H2,(H,22,23);1H.
What are the key properties of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 390.86 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120790835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).