ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate

C19H14N2O7 — CID 44632724

IUPACethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)oc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O7/c1-2-27-19(22)16-11-17(12-3-7-14(8-4-12)20(23)24)28-18(16)13-5-9-15(10-6-13)21(25)26/h3-11H,2H2,1H3
InChIKeyIKZQRRUOHHFVFN-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.61
Rot. Bonds6

About ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate

ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate (PubChem CID 44632724) has the molecular formula C19H14N2O7 and a molecular weight of 382.33 g/mol. Its IUPAC name is ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
PubChem CID44632724
Molecular FormulaC19H14N2O7
Molecular Weight382.33 g/mol
Exact Mass382.08
IUPAC Nameethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)oc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O7/c1-2-27-19(22)16-11-17(12-3-7-14(8-4-12)20(23)24)28-18(16)13-5-9-15(10-6-13)21(25)26/h3-11H,2H2,1H3
InChIKeyIKZQRRUOHHFVFN-UHFFFAOYSA-N
XLogP4.61
TPSA125.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 5-(4-nitrophenyl)furan-2,3-dicarboxylate
CID 164671795
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375
ethyl 1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate
CID 14643807
ethyl 5,8-dibromo-3-(4-nitrophenyl)naphthalene-2-carboxylate
CID 71507880
3-O-tert-butyl 4-O-ethyl 2-amino-5-(4-nitrophenyl)furan-3,4-dicarboxylate
CID 176585284
diethyl 3-(4-nitrophenyl)-1H-pyrrole-2,4-dicarboxylate
CID 134695151
ethyl 7-nitro-2-oxochromene-3-carboxylate
CID 3027556
ethyl 2-(4-nitrobenzoyl)benzoate
CID 24722830
ethyl 2-methyl-7-nitroquinoline-3-carboxylate
CID 13057616
ethyl 4-nitro-2-(3-oxopropyl)benzoate
CID 134644320
methyl 3-methoxy-5-(4-nitrophenyl)furan-2-carboxylate
CID 53253836

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate?
The IUPAC name of ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate (CID 44632724) is ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate?
The canonical SMILES for ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate is CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)oc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate?
The InChIKey is IKZQRRUOHHFVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O7/c1-2-27-19(22)16-11-17(12-3-7-14(8-4-12)20(23)24)28-18(16)13-5-9-15(10-6-13)21(25)26/h3-11H,2H2,1H3.
What are the key properties of ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate?
ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate has a molecular weight of 382.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate is sourced from PubChem (CID 44632724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).