N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C18H16N2O4 — CID 6882841

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-8-7-12(9-16(15)23-2)11-19-20-18(21)17-10-13-5-3-4-6-14(13)24-17/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyFRTKUYNGOABOKT-YBFXNURJSA-N
MW324.34 g/mol
LogP3.21
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6882841) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6882841
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-8-7-12(9-16(15)23-2)11-19-20-18(21)17-10-13-5-3-4-6-14(13)24-17/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyFRTKUYNGOABOKT-YBFXNURJSA-N
XLogP3.21
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.21
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)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96885314
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 124541267
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192822
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
N-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3419462
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433423
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
7-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3842687
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 6882841) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is FRTKUYNGOABOKT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-15-8-7-12(9-16(15)23-2)11-19-20-18(21)17-10-13-5-3-4-6-14(13)24-17/h3-11H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6882841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).