N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

C26H23ClN4O3 — CID 4044736

IUPACN'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C26H23ClN4O3/c1-17-3-9-23(18(2)11-17)30-25(32)13-26(33)31-29-15-21-12-22(27)8-10-24(21)34-16-20-6-4-19(14-28)5-7-20/h3-12,15H,13,16H2,1-2H3,(H,30,32)(H,31,33)
InChIKeySNHQRKWBDOCBSZ-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.89
Rot. Bonds8

About N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (PubChem CID 4044736) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
PubChem CID4044736
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC NameN'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C26H23ClN4O3/c1-17-3-9-23(18(2)11-17)30-25(32)13-26(33)31-29-15-21-12-22(27)8-10-24(21)34-16-20-6-4-19(14-28)5-7-20/h3-12,15H,13,16H2,1-2H3,(H,30,32)(H,31,33)
InChIKeySNHQRKWBDOCBSZ-UHFFFAOYSA-N
XLogP4.89
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide 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

N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 3580196
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4561715
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3323945
N-[(E)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246365
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3337673
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944538
4-chloro-N-[(E)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126272223
N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4011223
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126170704
N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818805
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126176101
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983

Frequently Asked Questions

What is the IUPAC name of N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (CID 4044736) is N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The InChIKey is SNHQRKWBDOCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-17-3-9-23(18(2)11-17)30-25(32)13-26(33)31-29-15-21-12-22(27)8-10-24(21)34-16-20-6-4-19(14-28)5-7-20/h3-12,15H,13,16H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide has a molecular weight of 474.95 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 4044736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).