4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide

C13H17FN2O3 — CID 114839694

IUPAC4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(NC(=O)C2(N)CCOCC2)ccc1F
InChIInChI=1S/C13H17FN2O3/c1-18-11-8-9(2-3-10(11)14)16-12(17)13(15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyXJBOVBKXFUJVJV-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.28
Rot. Bonds3

About 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide

4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide (PubChem CID 114839694) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
PubChem CID114839694
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(NC(=O)C2(N)CCOCC2)ccc1F
InChIInChI=1S/C13H17FN2O3/c1-18-11-8-9(2-3-10(11)14)16-12(17)13(15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyXJBOVBKXFUJVJV-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide (CID 114839694) is 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide is COc1cc(NC(=O)C2(N)CCOCC2)ccc1F.
What is the InChIKey of 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is XJBOVBKXFUJVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-11-8-9(2-3-10(11)14)16-12(17)13(15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide?
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 114839694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).