N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide

C20H19NO3 — CID 28666706

IUPACN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1
InChIInChI=1S/C20H19NO3/c1-13-4-3-5-16(10-13)20(23)21-18-11-15(7-6-14(18)2)19-9-8-17(12-22)24-19/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyAUFZYCZTGQXWLF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.31
Rot. Bonds4

About N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide (PubChem CID 28666706) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
PubChem CID28666706
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1
InChIInChI=1S/C20H19NO3/c1-13-4-3-5-16(10-13)20(23)21-18-11-15(7-6-14(18)2)19-9-8-17(12-22)24-19/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyAUFZYCZTGQXWLF-UHFFFAOYSA-N
XLogP4.31
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671045
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
CID 28675294
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
CID 28671110
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
3-butoxy-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687860

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide (CID 28666706) is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1.
What is the InChIKey of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide?
The InChIKey is AUFZYCZTGQXWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-4-3-5-16(10-13)20(23)21-18-11-15(7-6-14(18)2)19-9-8-17(12-22)24-19/h3-11,22H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide?
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide is sourced from PubChem (CID 28666706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).