N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide

C11H5ClN4O8 — CID 154631386

IUPACN-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H5ClN4O8/c12-6-3-5(14(18)19)4-7(15(20)21)10(6)13-11(17)8-1-2-9(24-8)16(22)23/h1-4H,(H,13,17)
InChIKeyMCZJQBZWEMOCBO-UHFFFAOYSA-N
MW356.63 g/mol
LogP2.91
Rot. Bonds5

About N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide

N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 154631386) has the molecular formula C11H5ClN4O8 and a molecular weight of 356.63 g/mol. Its IUPAC name is N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide
PubChem CID154631386
Molecular FormulaC11H5ClN4O8
Molecular Weight356.63 g/mol
Exact Mass355.98
IUPAC NameN-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H5ClN4O8/c12-6-3-5(14(18)19)4-7(15(20)21)10(6)13-11(17)8-1-2-9(24-8)16(22)23/h1-4H,(H,13,17)
InChIKeyMCZJQBZWEMOCBO-UHFFFAOYSA-N
XLogP2.91
TPSA171.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide (CID 154631386) is N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is MCZJQBZWEMOCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN4O8/c12-6-3-5(14(18)19)4-7(15(20)21)10(6)13-11(17)8-1-2-9(24-8)16(22)23/h1-4H,(H,13,17).
What are the key properties of N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide?
N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 356.63 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dinitrophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 154631386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).