N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide

C13H10Br2N2O2 — CID 6872942

IUPACN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1
InChIInChI=1S/C13H10Br2N2O2/c1-8-3-2-4-9(5-8)13(18)17-16-7-10-6-11(14)12(15)19-10/h2-7H,1H3,(H,17,18)/b16-7+
InChIKeyPVIVMTHECQBNJR-FRKPEAEDSA-N
MW386.04 g/mol
LogP3.88
Rot. Bonds3

About N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide

N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide (PubChem CID 6872942) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide
PubChem CID6872942
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1
InChIInChI=1S/C13H10Br2N2O2/c1-8-3-2-4-9(5-8)13(18)17-16-7-10-6-11(14)12(15)19-10/h2-7H,1H3,(H,17,18)/b16-7+
InChIKeyPVIVMTHECQBNJR-FRKPEAEDSA-N
XLogP3.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biphenyl-4-carboxylic acid (5-methyl-furan-2-ylmethylene)-hydrazide
CID 5332293
N-[3-[2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4409002
N'-[(E)-(5-Methylfuran-2-YL)methylidene]naphthalene-1-carbohydrazide
CID 9612436
N'-[(E)-furan-3-ylmethylidene]-3-methylbenzohydrazide
CID 9685781
4-bromo-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 9700419
N'-[(E)-(4,5-dibromofuran-2-yl)methylidene]-2-phenylacetohydrazide
CID 5332613
Benzoic acid, 2-(2-furanylmethylene)hydrazide
CID 99758
N'-(2-Furylmethylene)-4-methylbenzohydrazide
CID 6870844
5-bromo-N'-(4-bromobenzylidene)-2-furohydrazide
CID 9564721
2-bromo-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]benzohydrazide
CID 9595121
N'-[(4,5-dibromo-2-furyl)methylene]-2-hydroxy-2-phenylacetohydrazide
CID 9662812
2-[(3-bromobenzyl)oxy]-N'-[(1E)-(5-methyl-2-furyl)methylene]benzohydrazide
CID 46497982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide (CID 6872942) is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1.
What is the InChIKey of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide?
The InChIKey is PVIVMTHECQBNJR-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-8-3-2-4-9(5-8)13(18)17-16-7-10-6-11(14)12(15)19-10/h2-7H,1H3,(H,17,18)/b16-7+.
What are the key properties of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide?
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide has a molecular weight of 386.04 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 6872942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).