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

C20H18FNO3 — CID 16547761

IUPACN-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C
InChIInChI=1S/C20H18FNO3/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-10-17(25-19)12-24-16-8-6-15(21)7-9-16/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZQQWSKVZZFDXET-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.87
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 16547761) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID16547761
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC NameN-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C
InChIInChI=1S/C20H18FNO3/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-10-17(25-19)12-24-16-8-6-15(21)7-9-16/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZQQWSKVZZFDXET-UHFFFAOYSA-N
XLogP4.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19450723
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 16547761) is N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZQQWSKVZZFDXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-10-17(25-19)12-24-16-8-6-15(21)7-9-16/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 16547761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).