N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide

C24H22ClN3O3 — CID 3332655

IUPACN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1C
InChIInChI=1S/C24H22ClN3O3/c1-16-7-10-20(13-17(16)2)27-23(29)24(30)28-26-14-18-8-11-21(12-9-18)31-15-19-5-3-4-6-22(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRPJLLQHPHMUMMU-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.62
Rot. Bonds6

About N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide

N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 3332655) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
PubChem CID3332655
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1C
InChIInChI=1S/C24H22ClN3O3/c1-16-7-10-20(13-17(16)2)27-23(29)24(30)28-26-14-18-8-11-21(12-9-18)31-15-19-5-3-4-6-22(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRPJLLQHPHMUMMU-UHFFFAOYSA-N
XLogP4.62
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19659605
N-(4-acetamidophenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3425662
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160178
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089
2-[4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989723
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126170911
N-(3-chloro-4-methylphenyl)-N'-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4086690
N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5166548
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide (CID 3332655) is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1C.
What is the InChIKey of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is RPJLLQHPHMUMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-7-10-20(13-17(16)2)27-23(29)24(30)28-26-14-18-8-11-21(12-9-18)31-15-19-5-3-4-6-22(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 435.91 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 3332655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).