2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide

C26H27FN2O3 — CID 86899757

IUPAC2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C26H27FN2O3/c1-19-6-12-22(13-7-19)32-24-5-3-2-4-23(24)29-25(30)18-28-26(14-16-31-17-15-26)20-8-10-21(27)11-9-20/h2-13,28H,14-18H2,1H3,(H,29,30)
InChIKeyRISMLOZXFALGBL-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.16
Rot. Bonds7

About 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 86899757) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID86899757
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C26H27FN2O3/c1-19-6-12-22(13-7-19)32-24-5-3-2-4-23(24)29-25(30)18-28-26(14-16-31-17-15-26)20-8-10-21(27)11-9-20/h2-13,28H,14-18H2,1H3,(H,29,30)
InChIKeyRISMLOZXFALGBL-UHFFFAOYSA-N
XLogP5.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660
1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
CID 113215342
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
CID 56783659
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 26890892
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 47084614
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 56574726
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 86899757) is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is RISMLOZXFALGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-19-6-12-22(13-7-19)32-24-5-3-2-4-23(24)29-25(30)18-28-26(14-16-31-17-15-26)20-8-10-21(27)11-9-20/h2-13,28H,14-18H2,1H3,(H,29,30).
What are the key properties of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 434.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 86899757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).