5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide

C22H20FNO5 — CID 42227206

IUPAC5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C22H20FNO5/c1-27-19-5-3-2-4-16(19)10-11-24-22(26)20-12-18(25)21(14-29-20)28-13-15-6-8-17(23)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,24,26)
InChIKeyCKUBVVKQCCMICN-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.34
Rot. Bonds8

About 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide

5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide (PubChem CID 42227206) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide
PubChem CID42227206
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C22H20FNO5/c1-27-19-5-3-2-4-16(19)10-11-24-22(26)20-12-18(25)21(14-29-20)28-13-15-6-8-17(23)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,24,26)
InChIKeyCKUBVVKQCCMICN-UHFFFAOYSA-N
XLogP3.34
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-Methyl-benzyl)-2-phenoxy-acetamide
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2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
CID 2349172
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6182229
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9461986
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
N-[(2-methoxyphenyl)methyl]-2-phenoxypropanamide
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Pisoniamide
CID 768471

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide (CID 42227206) is 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide is COc1ccccc1CCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide?
The InChIKey is CKUBVVKQCCMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-27-19-5-3-2-4-16(19)10-11-24-22(26)20-12-18(25)21(14-29-20)28-13-15-6-8-17(23)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,24,26).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).