N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide

C15H18BrN3O2 — CID 94844326

IUPACN'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H18BrN3O2/c16-12-6-4-5-11(9-12)10-17-19-15(21)14(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20)(H,19,21)/b17-10-
InChIKeyNGCDVFACJFANFI-YVLHZVERSA-N
MW352.23 g/mol
LogP2.35
Rot. Bonds3

About N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide

N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide (PubChem CID 94844326) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
PubChem CID94844326
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H18BrN3O2/c16-12-6-4-5-11(9-12)10-17-19-15(21)14(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20)(H,19,21)/b17-10-
InChIKeyNGCDVFACJFANFI-YVLHZVERSA-N
XLogP2.35
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.35
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'-[(E)-(3-bromophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211606
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
CID 9352215
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide?
The IUPAC name of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide (CID 94844326) is N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide.
What is the SMILES notation for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide?
The canonical SMILES for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide is O=C(N/N=C\c1cccc(Br)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide?
The InChIKey is NGCDVFACJFANFI-YVLHZVERSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-12-6-4-5-11(9-12)10-17-19-15(21)14(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20)(H,19,21)/b17-10-.
What are the key properties of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide?
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide has a molecular weight of 352.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide is sourced from PubChem (CID 94844326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).