5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide

C12H8BrClN2O4 — CID 2909842

IUPAC5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClN2O4/c1-6-4-9(16(18)19)7(14)5-8(6)15-12(17)10-2-3-11(13)20-10/h2-5H,1H3,(H,15,17)
InChIKeyGWCSEKHCAMVRNN-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.16
Rot. Bonds3

About 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide

5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide (PubChem CID 2909842) has the molecular formula C12H8BrClN2O4 and a molecular weight of 359.56 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
PubChem CID2909842
Molecular FormulaC12H8BrClN2O4
Molecular Weight359.56 g/mol
Exact Mass357.94
IUPAC Name5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClN2O4/c1-6-4-9(16(18)19)7(14)5-8(6)15-12(17)10-2-3-11(13)20-10/h2-5H,1H3,(H,15,17)
InChIKeyGWCSEKHCAMVRNN-UHFFFAOYSA-N
XLogP4.16
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.16
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-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(2-bromo-4-methyl-5-nitrophenyl)-5-chlorofuran-2-carboxamide
CID 104696606
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 104668257
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-2-fluorobenzamide;N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 158719874
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide (CID 2909842) is 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is GWCSEKHCAMVRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4/c1-6-4-9(16(18)19)7(14)5-8(6)15-12(17)10-2-3-11(13)20-10/h2-5H,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide?
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 359.56 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2909842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).