N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide

C12H7BrCl2N2O2 — CID 126007261

IUPACN-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
SMILESO=C(N/N=C\c1ccc(Br)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl2N2O2/c13-11-4-2-8(19-11)6-16-17-12(18)9-3-1-7(14)5-10(9)15/h1-6H,(H,17,18)/b16-6-
InChIKeyURJFUAVIEFGCQD-SOFYXZRVSA-N
MW362.01 g/mol
LogP4.11
Rot. Bonds3

About N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide

N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide (PubChem CID 126007261) has the molecular formula C12H7BrCl2N2O2 and a molecular weight of 362.01 g/mol. Its IUPAC name is N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
PubChem CID126007261
Molecular FormulaC12H7BrCl2N2O2
Molecular Weight362.01 g/mol
Exact Mass359.91
IUPAC NameN-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
SMILESO=C(N/N=C\c1ccc(Br)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl2N2O2/c13-11-4-2-8(19-11)6-16-17-12(18)9-3-1-7(14)5-10(9)15/h1-6H,(H,17,18)/b16-6-
InChIKeyURJFUAVIEFGCQD-SOFYXZRVSA-N
XLogP4.11
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.01
LogP ≤ 54.11
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'}

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Related Compounds

2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
1-[(2,4-dichlorobenzoyl)amino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 73053560
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
2,4-dichloro-N-(ethylideneamino)benzamide
CID 3608480
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507546
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
propan-2-yl 3-[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126170880

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide (CID 126007261) is N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide is O=C(N/N=C\c1ccc(Br)o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide?
The InChIKey is URJFUAVIEFGCQD-SOFYXZRVSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O2/c13-11-4-2-8(19-11)6-16-17-12(18)9-3-1-7(14)5-10(9)15/h1-6H,(H,17,18)/b16-6-.
What are the key properties of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide?
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide has a molecular weight of 362.01 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide is sourced from PubChem (CID 126007261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).