N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

C15H21ClFN3O3 — CID 120785529

IUPACN-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C(N)C2CCOCC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-9(20)18-13-8-11(2-3-12(13)16)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyJZXUAOKDTXTXFZ-UHFFFAOYSA-N
MW345.80 g/mol
LogP1.90
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120785529) has the molecular formula C15H21ClFN3O3 and a molecular weight of 345.80 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120785529
Molecular FormulaC15H21ClFN3O3
Molecular Weight345.80 g/mol
Exact Mass345.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C(N)C2CCOCC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-9(20)18-13-8-11(2-3-12(13)16)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyJZXUAOKDTXTXFZ-UHFFFAOYSA-N
XLogP1.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride
CID 120786077
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784707
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (CID 120785529) is N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is CC(=O)Nc1cc(NC(=O)C(N)C2CCOCC2)ccc1F.Cl.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is JZXUAOKDTXTXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3.ClH/c1-9(20)18-13-8-11(2-3-12(13)16)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 345.80 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120785529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).