N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide

C19H16N2O4 — CID 940023

IUPACN-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C19H16N2O4/c1-2-13-6-8-15(9-7-13)20-19(22)18-11-10-17(25-18)14-4-3-5-16(12-14)21(23)24/h3-12H,2H2,1H3,(H,20,22)
InChIKeyMIRYQSDWLDZEDL-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.67
Rot. Bonds5

About N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 940023) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID940023
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C19H16N2O4/c1-2-13-6-8-15(9-7-13)20-19(22)18-11-10-17(25-18)14-4-3-5-16(12-14)21(23)24/h3-12H,2H2,1H3,(H,20,22)
InChIKeyMIRYQSDWLDZEDL-UHFFFAOYSA-N
XLogP4.67
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 22777361
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
5-(3-nitrophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17111700
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
(E)-2-cyano-N-(4-ethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6103452
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
5-(3-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide
CID 5028502
5-(3-nitrophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115620

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 940023) is N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide is CCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is MIRYQSDWLDZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-13-6-8-15(9-7-13)20-19(22)18-11-10-17(25-18)14-4-3-5-16(12-14)21(23)24/h3-12H,2H2,1H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 940023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).