N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C22H22FNO5 — CID 43009388

IUPACN-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OCC
InChIInChI=1S/C22H22FNO5/c1-3-26-19-11-7-16(13-21(19)27-4-2)24-22(25)20-12-10-18(29-20)14-28-17-8-5-15(23)6-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyWXUAPKNBMPCIMU-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.05
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 43009388) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID43009388
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC NameN-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OCC
InChIInChI=1S/C22H22FNO5/c1-3-26-19-11-7-16(13-21(19)27-4-2)24-22(25)20-12-10-18(29-20)14-28-17-8-5-15(23)6-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyWXUAPKNBMPCIMU-UHFFFAOYSA-N
XLogP5.05
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446908
5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
CID 19415798
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 43009388) is N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is WXUAPKNBMPCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO5/c1-3-26-19-11-7-16(13-21(19)27-4-2)24-22(25)20-12-10-18(29-20)14-28-17-8-5-15(23)6-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,25).
What are the key properties of N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 43009388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).