N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

C18H12BrFN2O5 — CID 43840683

IUPACN-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12BrFN2O5/c1-26-11-3-4-12(15(9-11)22(24)25)16-6-7-17(27-16)18(23)21-14-5-2-10(19)8-13(14)20/h2-9H,1H3,(H,21,23)
InChIKeyDEIJUVGRBSZQHM-UHFFFAOYSA-N
MW435.21 g/mol
LogP5.02
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (PubChem CID 43840683) has the molecular formula C18H12BrFN2O5 and a molecular weight of 435.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
PubChem CID43840683
Molecular FormulaC18H12BrFN2O5
Molecular Weight435.21 g/mol
Exact Mass433.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12BrFN2O5/c1-26-11-3-4-12(15(9-11)22(24)25)16-6-7-17(27-16)18(23)21-14-5-2-10(19)8-13(14)20/h2-9H,1H3,(H,21,23)
InChIKeyDEIJUVGRBSZQHM-UHFFFAOYSA-N
XLogP5.02
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.21
LogP ≤ 55.02
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

5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17104813
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-(3-bromo-4-morpholin-4-ylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220784
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
N-(6-chloro-2-phenylbenzotriazol-5-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220321

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (CID 43840683) is N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is DEIJUVGRBSZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O5/c1-26-11-3-4-12(15(9-11)22(24)25)16-6-7-17(27-16)18(23)21-14-5-2-10(19)8-13(14)20/h2-9H,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 435.21 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 43840683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).