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

C27H20Cl2N2O4 — CID 19657640

IUPACN-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESCC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C27H20Cl2N2O4/c1-17(32)18-6-8-19(9-7-18)25-13-12-22(35-25)15-30-31-27(33)23-4-2-3-5-26(23)34-16-20-10-11-21(28)14-24(20)29/h2-15H,16H2,1H3,(H,31,33)/b30-15+
InChIKeyVAOJVDYPYLQOOH-FJEPWZHXSA-N
MW507.37 g/mol
LogP6.80
Rot. Bonds8

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

N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 19657640) has the molecular formula C27H20Cl2N2O4 and a molecular weight of 507.37 g/mol. Its IUPAC name is N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID19657640
Molecular FormulaC27H20Cl2N2O4
Molecular Weight507.37 g/mol
Exact Mass506.08
IUPAC NameN-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESCC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C27H20Cl2N2O4/c1-17(32)18-6-8-19(9-7-18)25-13-12-22(35-25)15-30-31-27(33)23-4-2-3-5-26(23)34-16-20-10-11-21(28)14-24(20)29/h2-15H,16H2,1H3,(H,31,33)/b30-15+
InChIKeyVAOJVDYPYLQOOH-FJEPWZHXSA-N
XLogP6.80
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-[(E)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657386
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061806
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182
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
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 6873079
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (CID 19657640) is N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is VAOJVDYPYLQOOH-FJEPWZHXSA-N. The full InChI is InChI=1S/C27H20Cl2N2O4/c1-17(32)18-6-8-19(9-7-18)25-13-12-22(35-25)15-30-31-27(33)23-4-2-3-5-26(23)34-16-20-10-11-21(28)14-24(20)29/h2-15H,16H2,1H3,(H,31,33)/b30-15+.
What are the key properties of N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 507.37 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19657640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).