N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide

C25H23Cl2N3O4 — CID 3589426

IUPACN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C25H23Cl2N3O4/c1-33-23-8-3-2-7-21(23)29-24(31)11-12-25(32)30-28-15-18-14-20(27)9-10-22(18)34-16-17-5-4-6-19(26)13-17/h2-10,13-15H,11-12,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyGFYAXENAPJJJIK-UHFFFAOYSA-N
MW500.38 g/mol
LogP5.45
Rot. Bonds10

About N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide (PubChem CID 3589426) has the molecular formula C25H23Cl2N3O4 and a molecular weight of 500.38 g/mol. Its IUPAC name is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
PubChem CID3589426
Molecular FormulaC25H23Cl2N3O4
Molecular Weight500.38 g/mol
Exact Mass499.11
IUPAC NameN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C25H23Cl2N3O4/c1-33-23-8-3-2-7-21(23)29-24(31)11-12-25(32)30-28-15-18-14-20(27)9-10-22(18)34-16-17-5-4-6-19(26)13-17/h2-10,13-15H,11-12,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyGFYAXENAPJJJIK-UHFFFAOYSA-N
XLogP5.45
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.38
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3323945
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 3580196
N-(2-bromophenyl)-N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3294440
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3656998
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126317605
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124554760

Frequently Asked Questions

What is the IUPAC name of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The IUPAC name of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide (CID 3589426) is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide is COc1ccccc1NC(=O)CCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The InChIKey is GFYAXENAPJJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O4/c1-33-23-8-3-2-7-21(23)29-24(31)11-12-25(32)30-28-15-18-14-20(27)9-10-22(18)34-16-17-5-4-6-19(26)13-17/h2-10,13-15H,11-12,16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide?
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide has a molecular weight of 500.38 g/mol, XLogP of 5.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide is sourced from PubChem (CID 3589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).