N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C18H16N2O4 — CID 6873936

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

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6873936) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6873936
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16N2O4/c1-22-14-7-8-15(23-2)13(9-14)11-19-20-18(21)17-10-12-5-3-4-6-16(12)24-17/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyRPVWPKHLSLAYKR-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)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96886374
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795
methyl 2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-4-bromophenoxy]acetate
CID 3744871
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96885314
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 958206

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 6873936) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is COc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is RPVWPKHLSLAYKR-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-14-7-8-15(23-2)13(9-14)11-19-20-18(21)17-10-12-5-3-4-6-16(12)24-17/h3-11H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(2,5-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)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6873936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).