3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide

C22H20N2O — CID 6271545

IUPAC3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-6-10-21(15-16)22(25)24-23-17(2)18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25)/b23-17-
InChIKeyAFUHAMJFFFGNMC-QJOMJCCJSA-N
MW328.42 g/mol
LogP4.82
Rot. Bonds4

About 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide

3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 6271545) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID6271545
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-6-10-21(15-16)22(25)24-23-17(2)18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25)/b23-17-
InChIKeyAFUHAMJFFFGNMC-QJOMJCCJSA-N
XLogP4.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide (CID 6271545) is 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(C)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is AFUHAMJFFFGNMC-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-7-6-10-21(15-16)22(25)24-23-17(2)18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25)/b23-17-.
What are the key properties of 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide?
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 328.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6271545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).