2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C16H24ClFN2O3 — CID 120787967

IUPAC2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-10(13-9-12(17)3-4-14(13)21-2)19-16(20)15(18)11-5-7-22-8-6-11;/h3-4,9-11,15H,5-8,18H2,1-2H3,(H,19,20);1H
InChIKeyRHRVWGZDSVXZMI-UHFFFAOYSA-N
MW346.83 g/mol
LogP2.19
Rot. Bonds5

About 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787967) has the molecular formula C16H24ClFN2O3 and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787967
Molecular FormulaC16H24ClFN2O3
Molecular Weight346.83 g/mol
Exact Mass346.15
IUPAC Name2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-10(13-9-12(17)3-4-14(13)21-2)19-16(20)15(18)11-5-7-22-8-6-11;/h3-4,9-11,15H,5-8,18H2,1-2H3,(H,19,20);1H
InChIKeyRHRVWGZDSVXZMI-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
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2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
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2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
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2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
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4-[chloro-(5-fluoro-2-methoxyphenyl)methyl]oxane
CID 55131402
2-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798291
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787967) is 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1ccc(F)cc1C(C)NC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is RHRVWGZDSVXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3.ClH/c1-10(13-9-12(17)3-4-14(13)21-2)19-16(20)15(18)11-5-7-22-8-6-11;/h3-4,9-11,15H,5-8,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).