N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide

C17H14N2O2 — CID 57395656

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-12-6-8-13(9-7-12)10-18-19-17(20)15-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,19,20)/b18-10+
InChIKeyPTCHEKCFJWBHON-VCHYOVAHSA-N
MW278.31 g/mol
LogP3.51
Rot. Bonds3

About N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide

N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide (PubChem CID 57395656) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
PubChem CID57395656
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-12-6-8-13(9-7-12)10-18-19-17(20)15-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,19,20)/b18-10+
InChIKeyPTCHEKCFJWBHON-VCHYOVAHSA-N
XLogP3.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127051489

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide (CID 57395656) is N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide is Cc1ccc(/C=N/NC(=O)c2coc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The InChIKey is PTCHEKCFJWBHON-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-6-8-13(9-7-12)10-18-19-17(20)15-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide?
N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 57395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).