2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide

C12H9ClN2O5 — CID 106685355

IUPAC2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H9ClN2O5/c1-19-10-3-2-7(15(17)18)6-9(10)14-12(16)8-4-5-20-11(8)13/h2-6H,1H3,(H,14,16)
InChIKeyNCPVGLFQFBKGIT-UHFFFAOYSA-N
MW296.67 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide

2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide (PubChem CID 106685355) has the molecular formula C12H9ClN2O5 and a molecular weight of 296.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
PubChem CID106685355
Molecular FormulaC12H9ClN2O5
Molecular Weight296.67 g/mol
Exact Mass296.02
IUPAC Name2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H9ClN2O5/c1-19-10-3-2-7(15(17)18)6-9(10)14-12(16)8-4-5-20-11(8)13/h2-6H,1H3,(H,14,16)
InChIKeyNCPVGLFQFBKGIT-UHFFFAOYSA-N
XLogP3.10
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide (CID 106685355) is 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide?
The InChIKey is NCPVGLFQFBKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O5/c1-19-10-3-2-7(15(17)18)6-9(10)14-12(16)8-4-5-20-11(8)13/h2-6H,1H3,(H,14,16).
What are the key properties of 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide?
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide has a molecular weight of 296.67 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 106685355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).