5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide

C18H13BrN2O6 — CID 19450414

IUPAC5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H13BrN2O6/c19-13-3-1-2-4-16(13)26-10-12-6-8-17(27-12)18(23)20-14-7-5-11(21(24)25)9-15(14)22/h1-9,22H,10H2,(H,20,23)
InChIKeyIHCSVGGKJLNSFK-UHFFFAOYSA-N
MW433.21 g/mol
LogP4.49
Rot. Bonds6

About 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide (PubChem CID 19450414) has the molecular formula C18H13BrN2O6 and a molecular weight of 433.21 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
PubChem CID19450414
Molecular FormulaC18H13BrN2O6
Molecular Weight433.21 g/mol
Exact Mass432.00
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H13BrN2O6/c19-13-3-1-2-4-16(13)26-10-12-6-8-17(27-12)18(23)20-14-7-5-11(21(24)25)9-15(14)22/h1-9,22H,10H2,(H,20,23)
InChIKeyIHCSVGGKJLNSFK-UHFFFAOYSA-N
XLogP4.49
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19457031
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
N-(2-hydroxy-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromo-5-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 103009522
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide (CID 19450414) is 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is IHCSVGGKJLNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O6/c19-13-3-1-2-4-16(13)26-10-12-6-8-17(27-12)18(23)20-14-7-5-11(21(24)25)9-15(14)22/h1-9,22H,10H2,(H,20,23).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 433.21 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).