4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide

C20H19NO3 — CID 28666821

IUPAC4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1
InChIInChI=1S/C20H19NO3/c1-2-14-6-8-15(9-7-14)20(23)21-17-5-3-4-16(12-17)19-11-10-18(13-22)24-19/h3-12,22H,2,13H2,1H3,(H,21,23)
InChIKeyZDNBQUXOPGKSNB-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.25
Rot. Bonds5

About 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide

4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (PubChem CID 28666821) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
PubChem CID28666821
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1
InChIInChI=1S/C20H19NO3/c1-2-14-6-8-15(9-7-14)20(23)21-17-5-3-4-16(12-17)19-11-10-18(13-22)24-19/h3-12,22H,2,13H2,1H3,(H,21,23)
InChIKeyZDNBQUXOPGKSNB-UHFFFAOYSA-N
XLogP4.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675140
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
CID 28668650
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
4-ethyl-N-(3-ethynylphenyl)benzamide
CID 18168132
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (CID 28666821) is 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The InChIKey is ZDNBQUXOPGKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-14-6-8-15(9-7-14)20(23)21-17-5-3-4-16(12-17)19-11-10-18(13-22)24-19/h3-12,22H,2,13H2,1H3,(H,21,23).
What are the key properties of 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is sourced from PubChem (CID 28666821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).