N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

C15H21ClFN3O3 — CID 120921189

IUPACN-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C2(CN)CCOCC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-10(20)18-13-8-11(2-3-12(13)16)19-14(21)15(9-17)4-6-22-7-5-15;/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyABBSYBZUBDOLMW-UHFFFAOYSA-N
MW345.80 g/mol
LogP1.90
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride

N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120921189) has the molecular formula C15H21ClFN3O3 and a molecular weight of 345.80 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120921189
Molecular FormulaC15H21ClFN3O3
Molecular Weight345.80 g/mol
Exact Mass345.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C2(CN)CCOCC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-10(20)18-13-8-11(2-3-12(13)16)19-14(21)15(9-17)4-6-22-7-5-15;/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyABBSYBZUBDOLMW-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

N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
CID 120934525
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride (CID 120921189) is N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is CC(=O)Nc1cc(NC(=O)C2(CN)CCOCC2)ccc1F.Cl.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is ABBSYBZUBDOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3.ClH/c1-10(20)18-13-8-11(2-3-12(13)16)19-14(21)15(9-17)4-6-22-7-5-15;/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride?
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;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)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120921189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).