4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide

C13H10Br2N2O3 — CID 172964888

IUPAC4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2cc(Br)co2)c1O
InChIInChI=1S/C13H10Br2N2O3/c1-7-2-9(14)3-8(12(7)18)5-16-17-13(19)11-4-10(15)6-20-11/h2-6,18H,1H3,(H,17,19)/b16-5+
InChIKeyLSGNTUSAUUJQJM-FZSIALSZSA-N
MW402.04 g/mol
LogP3.58
Rot. Bonds3

About 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide

4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 172964888) has the molecular formula C13H10Br2N2O3 and a molecular weight of 402.04 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
PubChem CID172964888
Molecular FormulaC13H10Br2N2O3
Molecular Weight402.04 g/mol
Exact Mass399.91
IUPAC Name4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2cc(Br)co2)c1O
InChIInChI=1S/C13H10Br2N2O3/c1-7-2-9(14)3-8(12(7)18)5-16-17-13(19)11-4-10(15)6-20-11/h2-6,18H,1H3,(H,17,19)/b16-5+
InChIKeyLSGNTUSAUUJQJM-FZSIALSZSA-N
XLogP3.58
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 135505377
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 4620256
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide (CID 172964888) is 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide is Cc1cc(Br)cc(/C=N/NC(=O)c2cc(Br)co2)c1O.
What is the InChIKey of 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is LSGNTUSAUUJQJM-FZSIALSZSA-N. The full InChI is InChI=1S/C13H10Br2N2O3/c1-7-2-9(14)3-8(12(7)18)5-16-17-13(19)11-4-10(15)6-20-11/h2-6,18H,1H3,(H,17,19)/b16-5+.
What are the key properties of 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 402.04 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 172964888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).