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

C22H26FNO3 — CID 100682348

IUPAC4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C22H26FNO3/c1-16(2)15-27-18-9-7-17(8-10-18)24-21(25)22(11-13-26-14-12-22)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H3,(H,24,25)
InChIKeyYFRBOURHSVFVFN-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.55
Rot. Bonds6

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

4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide (PubChem CID 100682348) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
PubChem CID100682348
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C22H26FNO3/c1-16(2)15-27-18-9-7-17(8-10-18)24-21(25)22(11-13-26-14-12-22)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H3,(H,24,25)
InChIKeyYFRBOURHSVFVFN-UHFFFAOYSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100682380
4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100686190
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
CID 100682604
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818
4-(2-chlorophenyl)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100685136
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide (CID 100682348) is 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide is CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The InChIKey is YFRBOURHSVFVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-16(2)15-27-18-9-7-17(8-10-18)24-21(25)22(11-13-26-14-12-22)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H3,(H,24,25).
What are the key properties of 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100682348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).