N-[(4-chlorophenyl)methylideneamino]hexanamide

C13H17ClN2O — CID 4197078

IUPACN-[(4-chlorophenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-2-3-4-5-13(17)16-15-10-11-6-8-12(14)9-7-11/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyWAPGXPJGNDQNQR-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.37
Rot. Bonds6

About N-[(4-chlorophenyl)methylideneamino]hexanamide

N-[(4-chlorophenyl)methylideneamino]hexanamide (PubChem CID 4197078) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]hexanamide
PubChem CID4197078
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[(4-chlorophenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-2-3-4-5-13(17)16-15-10-11-6-8-12(14)9-7-11/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyWAPGXPJGNDQNQR-UHFFFAOYSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-[(4-chlorophenyl)methylideneamino]hexanamide 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,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]hexanamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]hexanamide (CID 4197078) is N-[(4-chlorophenyl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]hexanamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]hexanamide is CCCCCC(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]hexanamide?
The InChIKey is WAPGXPJGNDQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-3-4-5-13(17)16-15-10-11-6-8-12(14)9-7-11/h6-10H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]hexanamide?
N-[(4-chlorophenyl)methylideneamino]hexanamide has a molecular weight of 252.75 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]hexanamide is sourced from PubChem (CID 4197078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).