4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide

C21H17N3O2 — CID 9070813

IUPAC4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C21H17N3O2/c1-13(23-24-21(25)15-6-9-16(22)10-7-15)20-12-18-17-5-3-2-4-14(17)8-11-19(18)26-20/h2-12H,22H2,1H3,(H,24,25)/b23-13-
InChIKeyHZQJXDZTDZUPBN-QRVIBDJDSA-N
MW343.39 g/mol
LogP4.32
Rot. Bonds3

About 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide

4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide (PubChem CID 9070813) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
PubChem CID9070813
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C21H17N3O2/c1-13(23-24-21(25)15-6-9-16(22)10-7-15)20-12-18-17-5-3-2-4-14(17)8-11-19(18)26-20/h2-12H,22H2,1H3,(H,24,25)/b23-13-
InChIKeyHZQJXDZTDZUPBN-QRVIBDJDSA-N
XLogP4.32
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-benzo[e][1]benzofuran-2-ylethylideneamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 71899021
2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 97002774
1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-methylthiourea
CID 9071713
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463234
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
CID 163360864
N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030155
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 16556101
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
CID 73254287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide (CID 9070813) is 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(N)cc1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide?
The InChIKey is HZQJXDZTDZUPBN-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13(23-24-21(25)15-6-9-16(22)10-7-15)20-12-18-17-5-3-2-4-14(17)8-11-19(18)26-20/h2-12H,22H2,1H3,(H,24,25)/b23-13-.
What are the key properties of 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide?
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide is sourced from PubChem (CID 9070813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).