2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide

C11H6Br2N2O4 — CID 106854180

IUPAC2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccoc1Br
InChIInChI=1S/C11H6Br2N2O4/c12-8-2-1-6(15(17)18)5-9(8)14-11(16)7-3-4-19-10(7)13/h1-5H,(H,14,16)
InChIKeyKIIDIXWQIKHGHE-UHFFFAOYSA-N
MW389.99 g/mol
LogP3.97
Rot. Bonds3

About 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide

2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide (PubChem CID 106854180) has the molecular formula C11H6Br2N2O4 and a molecular weight of 389.99 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
PubChem CID106854180
Molecular FormulaC11H6Br2N2O4
Molecular Weight389.99 g/mol
Exact Mass387.87
IUPAC Name2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccoc1Br
InChIInChI=1S/C11H6Br2N2O4/c12-8-2-1-6(15(17)18)5-9(8)14-11(16)7-3-4-19-10(7)13/h1-5H,(H,14,16)
InChIKeyKIIDIXWQIKHGHE-UHFFFAOYSA-N
XLogP3.97
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.99
LogP ≤ 53.97
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

2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide (CID 106854180) is 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide?
The InChIKey is KIIDIXWQIKHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O4/c12-8-2-1-6(15(17)18)5-9(8)14-11(16)7-3-4-19-10(7)13/h1-5H,(H,14,16).
What are the key properties of 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide?
2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide has a molecular weight of 389.99 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 106854180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).