N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C21H16N2O4 — CID 5431047

IUPACN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O
InChIInChI=1S/C21H16N2O4/c1-26-19-8-6-13(10-17(19)24)12-22-23-21(25)20-11-16-15-5-3-2-4-14(15)7-9-18(16)27-20/h2-12,24H,1H3,(H,23,25)/b22-12-
InChIKeyLLCTYHPKUHJJFN-UUYOSTAYSA-N
MW360.37 g/mol
LogP4.06
Rot. Bonds4

About N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 5431047) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID5431047
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O
InChIInChI=1S/C21H16N2O4/c1-26-19-8-6-13(10-17(19)24)12-22-23-21(25)20-11-16-15-5-3-2-4-14(15)7-9-18(16)27-20/h2-12,24H,1H3,(H,23,25)/b22-12-
InChIKeyLLCTYHPKUHJJFN-UUYOSTAYSA-N
XLogP4.06
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
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'}

Analyze N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N'-(3-bromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494677
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6886843
2-{2-Methoxy-4-[2-(1-naphthoyl)carbohydrazonoyl]phenoxy}acetamide
CID 9563859
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-(2-naphthylmethylene)-2-furohydrazide
CID 6874804
N'-(3,5-dibromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135648080
4-Hydroxy-3-methoxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135470389

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 5431047) is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is COc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O.
What is the InChIKey of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is LLCTYHPKUHJJFN-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-26-19-8-6-13(10-17(19)24)12-22-23-21(25)20-11-16-15-5-3-2-4-14(15)7-9-18(16)27-20/h2-12,24H,1H3,(H,23,25)/b22-12-.
What are the key properties of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 5431047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).