2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

C23H21ClN2O2 — CID 126060012

IUPAC2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c1-16-7-10-18(11-8-16)15-28-22-6-4-3-5-19(22)14-25-26-23(27)20-12-9-17(2)13-21(20)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyNNMSLXFZKGODHU-QFEZKATASA-N
MW392.89 g/mol
LogP5.30
Rot. Bonds6

About 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 126060012) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID126060012
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c1-16-7-10-18(11-8-16)15-28-22-6-4-3-5-19(22)14-25-26-23(27)20-12-9-17(2)13-21(20)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyNNMSLXFZKGODHU-QFEZKATASA-N
XLogP5.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
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'}

Analyze 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
3-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060693
2-chloro-N-[(Z)-[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126061899
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038
N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
CID 126058299
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
2-bromo-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29147130
N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061040
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396352

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 126060012) is 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is NNMSLXFZKGODHU-QFEZKATASA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16-7-10-18(11-8-16)15-28-22-6-4-3-5-19(22)14-25-26-23(27)20-12-9-17(2)13-21(20)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-.
What are the key properties of 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 392.89 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 126060012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).