3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide

C14H11Br2N3O3 — CID 4675138

IUPAC3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(Br)o2)c1
InChIInChI=1S/C14H11Br2N3O3/c1-8(20)18-10-4-2-3-9(5-10)14(21)19-17-7-11-6-12(15)13(16)22-11/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyJMGWOZCMDZDUSV-UHFFFAOYSA-N
MW429.07 g/mol
LogP3.53
Rot. Bonds4

About 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide

3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide (PubChem CID 4675138) has the molecular formula C14H11Br2N3O3 and a molecular weight of 429.07 g/mol. Its IUPAC name is 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
PubChem CID4675138
Molecular FormulaC14H11Br2N3O3
Molecular Weight429.07 g/mol
Exact Mass426.92
IUPAC Name3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(Br)o2)c1
InChIInChI=1S/C14H11Br2N3O3/c1-8(20)18-10-4-2-3-9(5-10)14(21)19-17-7-11-6-12(15)13(16)22-11/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyJMGWOZCMDZDUSV-UHFFFAOYSA-N
XLogP3.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.07
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 5427617
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
2-[5-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3311637
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5497765
3-acetamido-N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
3-acetamido-N-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5180952
3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 4579243
1-[(4,5-dibromofuran-2-yl)methylideneamino]-3-phenylthiourea
CID 1282032
3-acetamido-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6026824

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide (CID 4675138) is 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(Br)o2)c1.
What is the InChIKey of 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide?
The InChIKey is JMGWOZCMDZDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O3/c1-8(20)18-10-4-2-3-9(5-10)14(21)19-17-7-11-6-12(15)13(16)22-11/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide?
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide has a molecular weight of 429.07 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4675138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).