N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide

C25H22Cl3N3O3 — CID 126170329

IUPACN'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22Cl3N3O3/c26-19-8-4-18(5-9-19)16-34-21-11-6-17(7-12-21)15-29-31-25(33)3-1-2-24(32)30-20-10-13-22(27)23(28)14-20/h4-15H,1-3,16H2,(H,30,32)(H,31,33)/b29-15-
InChIKeyBTCFPTRCSJRNGV-FDVSRXAVSA-N
MW518.83 g/mol
LogP6.48
Rot. Bonds10

About N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide

N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide (PubChem CID 126170329) has the molecular formula C25H22Cl3N3O3 and a molecular weight of 518.83 g/mol. Its IUPAC name is N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
PubChem CID126170329
Molecular FormulaC25H22Cl3N3O3
Molecular Weight518.83 g/mol
Exact Mass517.07
IUPAC NameN'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22Cl3N3O3/c26-19-8-4-18(5-9-19)16-34-21-11-6-17(7-12-21)15-29-31-25(33)3-1-2-24(32)30-20-10-13-22(27)23(28)14-20/h4-15H,1-3,16H2,(H,30,32)(H,31,33)/b29-15-
InChIKeyBTCFPTRCSJRNGV-FDVSRXAVSA-N
XLogP6.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.83
LogP ≤ 56.48
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-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 6871476
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3561944
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(4-bromophenyl)-N'-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 126159543
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 136773637
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide?
The IUPAC name of N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide (CID 126170329) is N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide.
What is the SMILES notation for N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide?
The canonical SMILES for N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide is O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide?
The InChIKey is BTCFPTRCSJRNGV-FDVSRXAVSA-N. The full InChI is InChI=1S/C25H22Cl3N3O3/c26-19-8-4-18(5-9-19)16-34-21-11-6-17(7-12-21)15-29-31-25(33)3-1-2-24(32)30-20-10-13-22(27)23(28)14-20/h4-15H,1-3,16H2,(H,30,32)(H,31,33)/b29-15-.
What are the key properties of N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide?
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide has a molecular weight of 518.83 g/mol, XLogP of 6.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide is sourced from PubChem (CID 126170329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).