N-[(3-chlorophenyl)methylideneamino]hexadecanamide

C23H37ClN2O — CID 75087758

IUPACN-[(3-chlorophenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(27)26-25-20-21-16-15-17-22(24)19-21/h15-17,19-20H,2-14,18H2,1H3,(H,26,27)
InChIKeyHPOWVOFNRWZZMW-UHFFFAOYSA-N
MW393.02 g/mol
LogP7.27
Rot. Bonds16

About N-[(3-chlorophenyl)methylideneamino]hexadecanamide

N-[(3-chlorophenyl)methylideneamino]hexadecanamide (PubChem CID 75087758) has the molecular formula C23H37ClN2O and a molecular weight of 393.02 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]hexadecanamide
PubChem CID75087758
Molecular FormulaC23H37ClN2O
Molecular Weight393.02 g/mol
Exact Mass392.26
IUPAC NameN-[(3-chlorophenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(27)26-25-20-21-16-15-17-22(24)19-21/h15-17,19-20H,2-14,18H2,1H3,(H,26,27)
InChIKeyHPOWVOFNRWZZMW-UHFFFAOYSA-N
XLogP7.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.02
LogP ≤ 57.27
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'}

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Related Compounds

N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 51061076
[4-[(octadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 75610373
N-[(2,6-dichlorophenyl)methylideneamino]nonanamide
CID 3711942
N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
CID 19584989
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054475

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]hexadecanamide (CID 75087758) is N-[(3-chlorophenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]hexadecanamide?
The InChIKey is HPOWVOFNRWZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(27)26-25-20-21-16-15-17-22(24)19-21/h15-17,19-20H,2-14,18H2,1H3,(H,26,27).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]hexadecanamide?
N-[(3-chlorophenyl)methylideneamino]hexadecanamide has a molecular weight of 393.02 g/mol, XLogP of 7.27, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 75087758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).