5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide

C28H21NO3 — CID 19412894

IUPAC5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C28H21NO3/c30-28(29-23-15-13-21(14-16-23)20-7-2-1-3-8-20)27-18-17-24(32-27)19-31-26-12-6-10-22-9-4-5-11-25(22)26/h1-18H,19H2,(H,29,30)
InChIKeyFKXGWJGQAJVIIL-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.93
Rot. Bonds6

About 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide

5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide (PubChem CID 19412894) has the molecular formula C28H21NO3 and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
PubChem CID19412894
Molecular FormulaC28H21NO3
Molecular Weight419.48 g/mol
Exact Mass419.15
IUPAC Name5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C28H21NO3/c30-28(29-23-15-13-21(14-16-23)20-7-2-1-3-8-20)27-18-17-24(32-27)19-31-26-12-6-10-22-9-4-5-11-25(22)26/h1-18H,19H2,(H,29,30)
InChIKeyFKXGWJGQAJVIIL-UHFFFAOYSA-N
XLogP6.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(naphthalen-1-yloxymethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19412861
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412890
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412834
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide (CID 19412894) is 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide?
The InChIKey is FKXGWJGQAJVIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO3/c30-28(29-23-15-13-21(14-16-23)20-7-2-1-3-8-20)27-18-17-24(32-27)19-31-26-12-6-10-22-9-4-5-11-25(22)26/h1-18H,19H2,(H,29,30).
What are the key properties of 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide?
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19412894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).