N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide

C20H16N2O3 — CID 135421668

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-18-11-6-14(12-19(18)24)13-21-22-20(25)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13,23-24H,(H,22,25)/b21-13+
InChIKeyVSFMQDMWHMRWGG-FYJGNVAPSA-N
MW332.36 g/mol
LogP3.53
Rot. Bonds4

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 135421668) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID135421668
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c23-18-11-6-14(12-19(18)24)13-21-22-20(25)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13,23-24H,(H,22,25)/b21-13+
InChIKeyVSFMQDMWHMRWGG-FYJGNVAPSA-N
XLogP3.53
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide (CID 135421668) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide is O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is VSFMQDMWHMRWGG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18-11-6-14(12-19(18)24)13-21-22-20(25)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13,23-24H,(H,22,25)/b21-13+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 332.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135421668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).