5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide

C25H27FN2O5 — CID 43006651

IUPAC5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)N2CCOCC2)cc1
InChIInChI=1S/C25H27FN2O5/c1-30-20-6-2-18(3-7-20)23(28-12-14-31-15-13-28)16-27-25(29)24-11-10-22(33-24)17-32-21-8-4-19(26)5-9-21/h2-11,23H,12-17H2,1H3,(H,27,29)
InChIKeyAQNVGXLCZYHVQW-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.81
Rot. Bonds9

About 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide (PubChem CID 43006651) has the molecular formula C25H27FN2O5 and a molecular weight of 454.50 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
PubChem CID43006651
Molecular FormulaC25H27FN2O5
Molecular Weight454.50 g/mol
Exact Mass454.19
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)N2CCOCC2)cc1
InChIInChI=1S/C25H27FN2O5/c1-30-20-6-2-18(3-7-20)23(28-12-14-31-15-13-28)16-27-25(29)24-11-10-22(33-24)17-32-21-8-4-19(26)5-9-21/h2-11,23H,12-17H2,1H3,(H,27,29)
InChIKeyAQNVGXLCZYHVQW-UHFFFAOYSA-N
XLogP3.81
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 46529402
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 17477344
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide (CID 43006651) is 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide is COc1ccc(C(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)N2CCOCC2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
The InChIKey is AQNVGXLCZYHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O5/c1-30-20-6-2-18(3-7-20)23(28-12-14-31-15-13-28)16-27-25(29)24-11-10-22(33-24)17-32-21-8-4-19(26)5-9-21/h2-11,23H,12-17H2,1H3,(H,27,29).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 43006651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).