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

C19H16N2O5 — CID 28671110

IUPACN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5/c1-12-6-7-13(18-9-8-14(11-22)26-18)10-16(12)20-19(23)15-4-2-3-5-17(15)21(24)25/h2-10,22H,11H2,1H3,(H,20,23)
InChIKeyJSXWEOIVDZCAPM-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.91
Rot. Bonds5

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

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide (PubChem CID 28671110) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
PubChem CID28671110
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5/c1-12-6-7-13(18-9-8-14(11-22)26-18)10-16(12)20-19(23)15-4-2-3-5-17(15)21(24)25/h2-10,22H,11H2,1H3,(H,20,23)
InChIKeyJSXWEOIVDZCAPM-UHFFFAOYSA-N
XLogP3.91
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-4-nitrobenzamide
CID 28671572
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 28674491
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
methyl 4-methyl-3-[(2-nitrobenzoyl)amino]benzoate
CID 7748739
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671045
5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
CID 28675294

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide (CID 28671110) is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide?
The InChIKey is JSXWEOIVDZCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-6-7-13(18-9-8-14(11-22)26-18)10-16(12)20-19(23)15-4-2-3-5-17(15)21(24)25/h2-10,22H,11H2,1H3,(H,20,23).
What are the key properties of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide?
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide has a molecular weight of 352.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide is sourced from PubChem (CID 28671110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).