N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide

C14H17BrN2O — CID 922325

IUPACN-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)
InChIKeyLGEKXIVWHPBCJV-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.48
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide

N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 922325) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID922325
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)
InChIKeyLGEKXIVWHPBCJV-UHFFFAOYSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
(1R,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 6738899
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
(1S,4Z,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 7348527
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide (CID 922325) is N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide is O=C(NN=Cc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is LGEKXIVWHPBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide?
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 922325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).