N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide

C23H26Cl2N4O2 — CID 3703961

IUPACN,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
SMILESO=C(CCCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N4O2/c24-20-12-8-18(9-13-20)16-26-28-22(30)6-4-2-1-3-5-7-23(31)29-27-17-19-10-14-21(25)15-11-19/h8-17H,1-7H2,(H,28,30)(H,29,31)
InChIKeyVNHSYUIZQVLANZ-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.32
Rot. Bonds12

About N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide

N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide (PubChem CID 3703961) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
PubChem CID3703961
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC NameN,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
SMILESO=C(CCCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N4O2/c24-20-12-8-18(9-13-20)16-26-28-22(30)6-4-2-1-3-5-7-23(31)29-27-17-19-10-14-21(25)15-11-19/h8-17H,1-7H2,(H,28,30)(H,29,31)
InChIKeyVNHSYUIZQVLANZ-UHFFFAOYSA-N
XLogP5.32
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide (CID 3703961) is N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide is O=C(CCCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide?
The InChIKey is VNHSYUIZQVLANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c24-20-12-8-18(9-13-20)16-26-28-22(30)6-4-2-1-3-5-7-23(31)29-27-17-19-10-14-21(25)15-11-19/h8-17H,1-7H2,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide?
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide has a molecular weight of 461.39 g/mol, XLogP of 5.32, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide is sourced from PubChem (CID 3703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).