4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide

C23H23N3O — CID 19579885

IUPAC4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H23N3O/c1-17-8-12-20(13-9-17)18(2)25-26-23(27)21-14-10-19(11-15-21)16-24-22-6-4-3-5-7-22/h3-15,24H,16H2,1-2H3,(H,26,27)
InChIKeyKTFGAPWGMDSPSS-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.76
Rot. Bonds6

About 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide

4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide (PubChem CID 19579885) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
PubChem CID19579885
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H23N3O/c1-17-8-12-20(13-9-17)18(2)25-26-23(27)21-14-10-19(11-15-21)16-24-22-6-4-3-5-7-22/h3-15,24H,16H2,1-2H3,(H,26,27)
InChIKeyKTFGAPWGMDSPSS-UHFFFAOYSA-N
XLogP4.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide (CID 19579885) is 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The InChIKey is KTFGAPWGMDSPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-8-12-20(13-9-17)18(2)25-26-23(27)21-14-10-19(11-15-21)16-24-22-6-4-3-5-7-22/h3-15,24H,16H2,1-2H3,(H,26,27).
What are the key properties of 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide has a molecular weight of 357.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 19579885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).