2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide

C20H16N2O2 — CID 780510

IUPAC2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc(O)c1
InChIInChI=1S/C20H16N2O2/c23-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)20(24)22-16-8-2-1-3-9-16/h1-14,23H,(H,22,24)/b21-14+
InChIKeyIEQCWGYFLRZMSZ-KGENOOAVSA-N
MW316.36 g/mol
LogP4.40
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide

2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide (PubChem CID 780510) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
PubChem CID780510
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc(O)c1
InChIInChI=1S/C20H16N2O2/c23-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)20(24)22-16-8-2-1-3-9-16/h1-14,23H,(H,22,24)/b21-14+
InChIKeyIEQCWGYFLRZMSZ-KGENOOAVSA-N
XLogP4.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide (CID 780510) is 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The InChIKey is IEQCWGYFLRZMSZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)20(24)22-16-8-2-1-3-9-16/h1-14,23H,(H,22,24)/b21-14+.
What are the key properties of 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide has a molecular weight of 316.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 780510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).