2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide

C18H10BrCl3N2O2 — CID 41339727

IUPAC2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1Br
InChIInChI=1S/C18H10BrCl3N2O2/c19-13-4-2-1-3-11(13)18(25)24-23-9-10-5-6-17(26-10)12-7-15(21)16(22)8-14(12)20/h1-9H,(H,24,25)/b23-9-
InChIKeyOSDSTVOXRNAUMV-AQHIEDMUSA-N
MW472.55 g/mol
LogP6.43
Rot. Bonds4

About 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide

2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 41339727) has the molecular formula C18H10BrCl3N2O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID41339727
Molecular FormulaC18H10BrCl3N2O2
Molecular Weight472.55 g/mol
Exact Mass469.90
IUPAC Name2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1Br
InChIInChI=1S/C18H10BrCl3N2O2/c19-13-4-2-1-3-11(13)18(25)24-23-9-10-5-6-17(26-10)12-7-15(21)16(22)8-14(12)20/h1-9H,(H,24,25)/b23-9-
InChIKeyOSDSTVOXRNAUMV-AQHIEDMUSA-N
XLogP6.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 3105317
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3645781
2-(2-methoxyanilino)-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 50930002
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(2R)-1-[(2Z)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 126177531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide (CID 41339727) is 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is OSDSTVOXRNAUMV-AQHIEDMUSA-N. The full InChI is InChI=1S/C18H10BrCl3N2O2/c19-13-4-2-1-3-11(13)18(25)24-23-9-10-5-6-17(26-10)12-7-15(21)16(22)8-14(12)20/h1-9H,(H,24,25)/b23-9-.
What are the key properties of 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 472.55 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 41339727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).