2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide

C21H18N2O3 — CID 631417

IUPAC2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESCOc1cccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C21H18N2O3/c1-26-19-13-7-8-15(20(19)24)14-22-18-12-6-5-11-17(18)21(25)23-16-9-3-2-4-10-16/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyOOILAKSTWCEDAF-HYARGMPZSA-N
MW346.39 g/mol
LogP4.40
Rot. Bonds5

About 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide

2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide (PubChem CID 631417) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide
PubChem CID631417
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESCOc1cccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C21H18N2O3/c1-26-19-13-7-8-15(20(19)24)14-22-18-12-6-5-11-17(18)21(25)23-16-9-3-2-4-10-16/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyOOILAKSTWCEDAF-HYARGMPZSA-N
XLogP4.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tranilast
CID 5282230
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
Avenanthramide E
CID 10245047
N-Feruloylanthranilic acid
CID 13041878
N-phenyl-2-[(3,4,5-trimethoxybenzylidene)amino]benzamide
CID 1009810
2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135557878
cis-Tranilast
CID 6604021
2-(4-Hydroxy-3-methoxyphenyl)quinazolin-4 (3h)-one
CID 136632047
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 164628455
5-fluoro-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 164628597
2-[(2-hydroxybenzylidene)amino]-N-phenylbenzamide
CID 721905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide (CID 631417) is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide is COc1cccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide?
The InChIKey is OOILAKSTWCEDAF-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-19-13-7-8-15(20(19)24)14-22-18-12-6-5-11-17(18)21(25)23-16-9-3-2-4-10-16/h2-14,24H,1H3,(H,23,25)/b22-14+.
What are the key properties of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide?
2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 631417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).