2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide

C27H26FNO4 — CID 55849523

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C27H26FNO4/c28-23-10-6-20(7-11-23)26(31)21-8-12-24(13-9-21)33-18-25(30)29-19-27(14-16-32-17-15-27)22-4-2-1-3-5-22/h1-13H,14-19H2,(H,29,30)
InChIKeyHWHXZPGEVKOWQC-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.30
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 55849523) has the molecular formula C27H26FNO4 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID55849523
Molecular FormulaC27H26FNO4
Molecular Weight447.51 g/mol
Exact Mass447.18
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C27H26FNO4/c28-23-10-6-20(7-11-23)26(31)21-8-12-24(13-9-21)33-18-25(30)29-19-27(14-16-32-17-15-27)22-4-2-1-3-5-22/h1-13H,14-19H2,(H,29,30)
InChIKeyHWHXZPGEVKOWQC-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914822
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571880
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795150
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 55849523) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is HWHXZPGEVKOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO4/c28-23-10-6-20(7-11-23)26(31)21-8-12-24(13-9-21)33-18-25(30)29-19-27(14-16-32-17-15-27)22-4-2-1-3-5-22/h1-13H,14-19H2,(H,29,30).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 55849523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).