N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide

C22H18N2O4 — CID 6880664

IUPACN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4ccccc4o3)c2c1
InChIInChI=1S/C22H18N2O4/c1-26-16-9-7-14-8-10-20(27-2)18(17(14)12-16)13-23-24-22(25)21-11-15-5-3-4-6-19(15)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+
InChIKeyYFVORKPNXGHQGH-YDZHTSKRSA-N
MW374.40 g/mol
LogP4.37
Rot. Bonds5

About N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6880664) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6880664
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4ccccc4o3)c2c1
InChIInChI=1S/C22H18N2O4/c1-26-16-9-7-14-8-10-20(27-2)18(17(14)12-16)13-23-24-22(25)21-11-15-5-3-4-6-19(15)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+
InChIKeyYFVORKPNXGHQGH-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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Related Compounds

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-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
CID 2492562
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
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-nitro-4-methylbenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 6876329
2-Chloro-5-{5-[(naphtho[2,1-b]furan-2-carbonyl)-hydrazonomethyl]-furan-2-yl}-benzoic acid
CID 6884195
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
N'-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 9564854

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 6880664) is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide is COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4ccccc4o3)c2c1.
What is the InChIKey of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is YFVORKPNXGHQGH-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-16-9-7-14-8-10-20(27-2)18(17(14)12-16)13-23-24-22(25)21-11-15-5-3-4-6-19(15)28-21/h3-13H,1-2H3,(H,24,25)/b23-13+.
What are the key properties of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-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)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6880664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).