N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide

C25H23Cl2N3O3 — CID 6871476

IUPACN-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H23Cl2N3O3/c26-20-10-12-21(13-11-20)29-24(31)6-3-7-25(32)30-28-16-18-8-14-22(15-9-18)33-17-19-4-1-2-5-23(19)27/h1-2,4-5,8-16H,3,6-7,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyNXUMIDVZURWWKX-LQKURTRISA-N
MW484.38 g/mol
LogP5.83
Rot. Bonds10

About N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide

N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide (PubChem CID 6871476) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
PubChem CID6871476
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H23Cl2N3O3/c26-20-10-12-21(13-11-20)29-24(31)6-3-7-25(32)30-28-16-18-8-14-22(15-9-18)33-17-19-4-1-2-5-23(19)27/h1-2,4-5,8-16H,3,6-7,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyNXUMIDVZURWWKX-LQKURTRISA-N
XLogP5.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
CID 171131950
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
CID 126170329
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N-(4-acetamidophenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3425662
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 4064777

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide (CID 6871476) is N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide is O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide?
The InChIKey is NXUMIDVZURWWKX-LQKURTRISA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c26-20-10-12-21(13-11-20)29-24(31)6-3-7-25(32)30-28-16-18-8-14-22(15-9-18)33-17-19-4-1-2-5-23(19)27/h1-2,4-5,8-16H,3,6-7,17H2,(H,29,31)(H,30,32)/b28-16+.
What are the key properties of N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide?
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide has a molecular weight of 484.38 g/mol, XLogP of 5.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide is sourced from PubChem (CID 6871476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).