N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide

C15H14N2O2 — CID 6898738

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-19-14-9-5-6-12(10-14)11-16-17-15(18)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)/b16-11+
InChIKeyACKAKYZFDVHHGJ-LFIBNONCSA-N
MW254.29 g/mol
LogP2.46
Rot. Bonds4

About N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide

N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6898738) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
PubChem CID6898738
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-19-14-9-5-6-12(10-14)11-16-17-15(18)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)/b16-11+
InChIKeyACKAKYZFDVHHGJ-LFIBNONCSA-N
XLogP2.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (CID 6898738) is N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is ACKAKYZFDVHHGJ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-14-9-5-6-12(10-14)11-16-17-15(18)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).