5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide

C21H19FN2O5 — CID 46666068

IUPAC5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H19FN2O5/c1-27-13-20(25)23-15-4-6-16(7-5-15)24-21(26)19-11-10-18(29-19)12-28-17-8-2-14(22)3-9-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyPZWKINXKKCMYLX-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.83
Rot. Bonds8

About 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 46666068) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID46666068
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H19FN2O5/c1-27-13-20(25)23-15-4-6-16(7-5-15)24-21(26)19-11-10-18(29-19)12-28-17-8-2-14(22)3-9-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyPZWKINXKKCMYLX-UHFFFAOYSA-N
XLogP3.83
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide
CID 55371736
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide (CID 46666068) is 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is PZWKINXKKCMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5/c1-27-13-20(25)23-15-4-6-16(7-5-15)24-21(26)19-11-10-18(29-19)12-28-17-8-2-14(22)3-9-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46666068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).