N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide

C20H23FN2O2 — CID 112983418

IUPACN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cc1)C1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-15(19)9-12-22-17-5-7-18(8-6-17)23-20(24)16-10-13-25-14-11-16/h1-8,16,22H,9-14H2,(H,23,24)
InChIKeyDMSDEOJGXAUBCN-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide

N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide (PubChem CID 112983418) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide
PubChem CID112983418
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cc1)C1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-15(19)9-12-22-17-5-7-18(8-6-17)23-20(24)16-10-13-25-14-11-16/h1-8,16,22H,9-14H2,(H,23,24)
InChIKeyDMSDEOJGXAUBCN-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide (CID 112983418) is N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide is O=C(Nc1ccc(NCCc2ccccc2F)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide?
The InChIKey is DMSDEOJGXAUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-4-2-1-3-15(19)9-12-22-17-5-7-18(8-6-17)23-20(24)16-10-13-25-14-11-16/h1-8,16,22H,9-14H2,(H,23,24).
What are the key properties of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide?
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 112983418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).