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

C22H18N2O4 — CID 6876216

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1
InChIInChI=1S/C22H18N2O4/c1-26-16-9-7-15(20(11-16)27-2)13-23-24-22(25)21-12-18-17-6-4-3-5-14(17)8-10-19(18)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+
InChIKeyNATUNDMISLRSHJ-YDZHTSKRSA-N
MW374.40 g/mol
LogP4.37
Rot. Bonds5

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

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 6876216) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID6876216
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1
InChIInChI=1S/C22H18N2O4/c1-26-16-9-7-15(20(11-16)27-2)13-23-24-22(25)21-12-18-17-6-4-3-5-14(17)8-10-19(18)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+
InChIKeyNATUNDMISLRSHJ-YDZHTSKRSA-N
XLogP4.37
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 6876216) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is NATUNDMISLRSHJ-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-16-9-7-15(20(11-16)27-2)13-23-24-22(25)21-12-18-17-6-4-3-5-14(17)8-10-19(18)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 6876216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).