N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide

C17H15Cl2N3O2 — CID 6161963

IUPACN-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-4-12(5-7-13)11-20-22-17(24)9-8-16(23)21-15-3-1-2-14(19)10-15/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)/b20-11-
InChIKeyVRWNBWJIURGORT-JAIQZWGSSA-N
MW364.23 g/mol
LogP3.86
Rot. Bonds6

About N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide

N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide (PubChem CID 6161963) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
PubChem CID6161963
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-4-12(5-7-13)11-20-22-17(24)9-8-16(23)21-15-3-1-2-14(19)10-15/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)/b20-11-
InChIKeyVRWNBWJIURGORT-JAIQZWGSSA-N
XLogP3.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 135479503
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3561944
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
1-(3-chlorophenyl)-3-[(4-chlorophenyl)methylideneamino]thiourea
CID 3813844
N'-[(3-bromo-4-butoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3901607
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide (CID 6161963) is N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide?
The InChIKey is VRWNBWJIURGORT-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-13-6-4-12(5-7-13)11-20-22-17(24)9-8-16(23)21-15-3-1-2-14(19)10-15/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)/b20-11-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide?
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide has a molecular weight of 364.23 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 6161963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).