4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

C23H22N2O4 — CID 3501852

IUPAC4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-27-20-14-22(29-3)21(28-2)13-19(20)15-24-25-23(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26)
InChIKeyYCZVONXBXHFHOR-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.14
Rot. Bonds7

About 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 3501852) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID3501852
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-27-20-14-22(29-3)21(28-2)13-19(20)15-24-25-23(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26)
InChIKeyYCZVONXBXHFHOR-UHFFFAOYSA-N
XLogP4.14
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 3501852) is 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YCZVONXBXHFHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-20-14-22(29-3)21(28-2)13-19(20)15-24-25-23(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26).
What are the key properties of 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3501852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).