1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

C13H10BrN3O4 — CID 44507546

IUPAC1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1
InChIInChI=1S/C13H10BrN3O4/c14-11-5-4-10(21-11)7-15-16-12(18)8-2-1-3-9(6-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-7+
InChIKeyBQLRUITZZGNOTP-VIZOYTHASA-N
MW352.14 g/mol
LogP1.92
Rot. Bonds4

About 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 44507546) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID44507546
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1
InChIInChI=1S/C13H10BrN3O4/c14-11-5-4-10(21-11)7-15-16-12(18)8-2-1-3-9(6-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-7+
InChIKeyBQLRUITZZGNOTP-VIZOYTHASA-N
XLogP1.92
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 171983837
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863853
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44506519
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 44507546) is 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1.
What is the InChIKey of 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is BQLRUITZZGNOTP-VIZOYTHASA-N. The full InChI is InChI=1S/C13H10BrN3O4/c14-11-5-4-10(21-11)7-15-16-12(18)8-2-1-3-9(6-8)13(19)17-20/h1-7,20H,(H,16,18)(H,17,19)/b15-7+.
What are the key properties of 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 352.14 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 44507546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).