N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

C23H17ClN2O3 — CID 96878778

IUPACN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H17ClN2O3/c24-19-11-9-16(10-12-19)15-28-20-7-3-2-6-18(20)14-25-26-23(27)22-13-17-5-1-4-8-21(17)29-22/h1-14H,15H2,(H,26,27)/b25-14+
InChIKeyZDIWGNOPQVHEJF-AFUMVMLFSA-N
MW404.85 g/mol
LogP5.43
Rot. Bonds6

About N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 96878778) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID96878778
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H17ClN2O3/c24-19-11-9-16(10-12-19)15-28-20-7-3-2-6-18(20)14-25-26-23(27)22-13-17-5-1-4-8-21(17)29-22/h1-14H,15H2,(H,26,27)/b25-14+
InChIKeyZDIWGNOPQVHEJF-AFUMVMLFSA-N
XLogP5.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.43
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

2-[2-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5426350
2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 958206
N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1497044
5-ethoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126194492
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 4085557
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[(E)-[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126193371
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide (CID 96878778) is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is ZDIWGNOPQVHEJF-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c24-19-11-9-16(10-12-19)15-28-20-7-3-2-6-18(20)14-25-26-23(27)22-13-17-5-1-4-8-21(17)29-22/h1-14H,15H2,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96878778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).