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

C25H17BrCl2N2O3 — CID 19657477

IUPACN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H17BrCl2N2O3/c26-18-8-5-16(6-9-18)23-12-11-20(33-23)14-29-30-25(31)21-3-1-2-4-24(21)32-15-17-7-10-19(27)13-22(17)28/h1-14H,15H2,(H,30,31)/b29-14+
InChIKeyQNCMOOPDLROTBZ-IPPBACCNSA-N
MW544.23 g/mol
LogP7.36
Rot. Bonds7

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

N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 19657477) 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]-2-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID19657477
Molecular FormulaC25H17BrCl2N2O3
Molecular Weight544.23 g/mol
Exact Mass541.98
IUPAC NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H17BrCl2N2O3/c26-18-8-5-16(6-9-18)23-12-11-20(33-23)14-29-30-25(31)21-3-1-2-4-24(21)32-15-17-7-10-19(27)13-22(17)28/h1-14H,15H2,(H,30,31)/b29-14+
InChIKeyQNCMOOPDLROTBZ-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-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061806
4-[5-[(E)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657386
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
CID 19657691

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (CID 19657477) is N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is QNCMOOPDLROTBZ-IPPBACCNSA-N. The full InChI is InChI=1S/C25H17BrCl2N2O3/c26-18-8-5-16(6-9-18)23-12-11-20(33-23)14-29-30-25(31)21-3-1-2-4-24(21)32-15-17-7-10-19(27)13-22(17)28/h1-14H,15H2,(H,30,31)/b29-14+.
What are the key properties of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(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]-2-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19657477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).