N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide

C22H20N2O3 — CID 5064739

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H20N2O3/c1-26-20-13-8-16(14-21(20)27-2)15-23-24-22(25)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,25)
InChIKeyUJVHFVTWADTIDR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.13
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 5064739) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID5064739
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H20N2O3/c1-26-20-13-8-16(14-21(20)27-2)15-23-24-22(25)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,25)
InChIKeyUJVHFVTWADTIDR-UHFFFAOYSA-N
XLogP4.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
[5-[(E)-(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] benzenesulfonate
CID 6872865
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 5064739) is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is UJVHFVTWADTIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-20-13-8-16(14-21(20)27-2)15-23-24-22(25)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5064739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).