N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide

C23H37ClN2O — CID 45054916

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-23(27)26-25-20-21-17-15-16-18-22(21)24/h15-18,20H,2-14,19H2,1H3,(H,26,27)/b25-20+
InChIKeyHOAXMTDKGUHSQZ-LKUDQCMESA-N
MW393.02 g/mol
LogP7.27
Rot. Bonds16

About N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide

N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide (PubChem CID 45054916) has the molecular formula C23H37ClN2O and a molecular weight of 393.02 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide
PubChem CID45054916
Molecular FormulaC23H37ClN2O
Molecular Weight393.02 g/mol
Exact Mass392.26
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-23(27)26-25-20-21-17-15-16-18-22(21)24/h15-18,20H,2-14,19H2,1H3,(H,26,27)/b25-20+
InChIKeyHOAXMTDKGUHSQZ-LKUDQCMESA-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

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
6-[(2E)-2-(2,4-dichlorobenzylidene)hydrazinyl]-N-methyl-6-oxohexanamide
CID 9593090
N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]cyclopropanecarbohydrazide
CID 5334886
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N'-[(E)-(4-chlorophenyl)methylidene]spiro[2.3]hexane-1-carbohydrazide
CID 9585102
Benzylidenehydrazine derivative, 18
CID 42618303
N,N'-bis[(4-chlorophenyl)methylideneamino]hexanediamide
CID 241697
N'-[(E)-(3-chlorophenyl)methylidene]spiro[2.3]hexane-1-carbohydrazide
CID 5718362
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
trans-(1R,2R)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7329455
(4-Chloro-phenyl)-acetic acid (2,6-dichloro-benzylidene)-hydrazide
CID 9556728
N-butyl-6-[2-(3-chlorobenzylidene)hydrazino]-6-oxohexanamide
CID 20846955

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide (CID 45054916) is N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide?
The InChIKey is HOAXMTDKGUHSQZ-LKUDQCMESA-N. The full InChI is InChI=1S/C23H37ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-23(27)26-25-20-21-17-15-16-18-22(21)24/h15-18,20H,2-14,19H2,1H3,(H,26,27)/b25-20+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide?
N-[(E)-(2-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-[(E)-(2-chlorophenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 45054916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).