N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide

C16H19Cl2N3O2 — CID 6290483

IUPACN-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2N3O2/c17-13-8-7-11(9-14(13)18)10-19-21-16(23)15(22)20-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,20,22)(H,21,23)/b19-10-
InChIKeyVDLDWQNQDZKXMN-GRSHGNNSSA-N
MW356.25 g/mol
LogP3.28
Rot. Bonds3

About N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide

N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide (PubChem CID 6290483) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
PubChem CID6290483
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC NameN-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2N3O2/c17-13-8-7-11(9-14(13)18)10-19-21-16(23)15(22)20-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,20,22)(H,21,23)/b19-10-
InChIKeyVDLDWQNQDZKXMN-GRSHGNNSSA-N
XLogP3.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 5171062
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
CID 5375577
N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8902799

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide (CID 6290483) is N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is VDLDWQNQDZKXMN-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-13-8-7-11(9-14(13)18)10-19-21-16(23)15(22)20-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,20,22)(H,21,23)/b19-10-.
What are the key properties of N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide?
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 356.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6290483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).