N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide

C25H17BrCl2N2O3 — CID 51061806

IUPACN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H17BrCl2N2O3/c26-19-6-1-16(2-7-19)24-12-11-22(33-24)14-29-30-25(31)17-4-9-21(10-5-17)32-15-18-3-8-20(27)13-23(18)28/h1-14H,15H2,(H,30,31)/b29-14+
InChIKeyZVAAVCKMGUEJSQ-IPPBACCNSA-N
MW544.23 g/mol
LogP7.36
Rot. Bonds7

About N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide

N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 51061806) has the molecular formula C25H17BrCl2N2O3 and a molecular weight of 544.23 g/mol. Its IUPAC name is N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID51061806
Molecular FormulaC25H17BrCl2N2O3
Molecular Weight544.23 g/mol
Exact Mass541.98
IUPAC NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H17BrCl2N2O3/c26-19-6-1-16(2-7-19)24-12-11-22(33-24)14-29-30-25(31)17-4-9-21(10-5-17)32-15-18-3-8-20(27)13-23(18)28/h1-14H,15H2,(H,30,31)/b29-14+
InChIKeyZVAAVCKMGUEJSQ-IPPBACCNSA-N
XLogP7.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.23
LogP ≤ 57.36
H-Bond Donors ≤ 51
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

N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 51061822
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334376
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide (CID 51061806) is N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is ZVAAVCKMGUEJSQ-IPPBACCNSA-N. The full InChI is InChI=1S/C25H17BrCl2N2O3/c26-19-6-1-16(2-7-19)24-12-11-22(33-24)14-29-30-25(31)17-4-9-21(10-5-17)32-15-18-3-8-20(27)13-23(18)28/h1-14H,15H2,(H,30,31)/b29-14+.
What are the key properties of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 544.23 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 51061806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).