2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H22ClFN2O3 — CID 120787041

IUPAC2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCOc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C15H21FN2O3.ClH/c16-12-1-3-13(4-2-12)21-10-7-18-15(19)14(17)11-5-8-20-9-6-11;/h1-4,11,14H,5-10,17H2,(H,18,19);1H
InChIKeyCFYDVTFVLFDJFV-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.50
Rot. Bonds6

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

2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787041) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787041
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCCOc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C15H21FN2O3.ClH/c16-12-1-3-13(4-2-12)21-10-7-18-15(19)14(17)11-5-8-20-9-6-11;/h1-4,11,14H,5-10,17H2,(H,18,19);1H
InChIKeyCFYDVTFVLFDJFV-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120799878
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride
CID 120800029
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787041) is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCCOc1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is CFYDVTFVLFDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c16-12-1-3-13(4-2-12)21-10-7-18-15(19)14(17)11-5-8-20-9-6-11;/h1-4,11,14H,5-10,17H2,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).