4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide

C20H18N2O6 — CID 28673736

IUPAC4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O6/c1-2-27-19-9-5-14(11-17(19)22(25)26)20(24)21-15-6-3-13(4-7-15)18-10-8-16(12-23)28-18/h3-11,23H,2,12H2,1H3,(H,21,24)
InChIKeyOQUGNHNGSPNZCO-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.00
Rot. Bonds7

About 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide

4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide (PubChem CID 28673736) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
PubChem CID28673736
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O6/c1-2-27-19-9-5-14(11-17(19)22(25)26)20(24)21-15-6-3-13(4-7-15)18-10-8-16(12-23)28-18/h3-11,23H,2,12H2,1H3,(H,21,24)
InChIKeyOQUGNHNGSPNZCO-UHFFFAOYSA-N
XLogP4.00
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 28674232
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
4-ethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
CID 1215968
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312
4-ethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide
CID 2196430
3-bromo-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-ethoxybenzamide
CID 28673589
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
CID 2235080
4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate
CID 2296882
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 17335216
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide (CID 28673736) is 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide is CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
The InChIKey is OQUGNHNGSPNZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-2-27-19-9-5-14(11-17(19)22(25)26)20(24)21-15-6-3-13(4-7-15)18-10-8-16(12-23)28-18/h3-11,23H,2,12H2,1H3,(H,21,24).
What are the key properties of 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide?
4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide has a molecular weight of 382.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 28673736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).