N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide

C25H41ClN2O — CID 45054960

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C25H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(29)28-27-22-23-18-17-19-24(26)21-23/h17-19,21-22H,2-16,20H2,1H3,(H,28,29)/b27-22+
InChIKeyUXGSOHSUPNGUTJ-HPNDGRJYSA-N
MW421.07 g/mol
LogP8.05
Rot. Bonds18

About N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide

N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide (PubChem CID 45054960) has the molecular formula C25H41ClN2O and a molecular weight of 421.07 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
PubChem CID45054960
Molecular FormulaC25H41ClN2O
Molecular Weight421.07 g/mol
Exact Mass420.29
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C25H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(29)28-27-22-23-18-17-19-24(26)21-23/h17-19,21-22H,2-16,20H2,1H3,(H,28,29)/b27-22+
InChIKeyUXGSOHSUPNGUTJ-HPNDGRJYSA-N
XLogP8.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.07
LogP ≤ 58.05
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-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
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-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide (CID 45054960) is N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide?
The InChIKey is UXGSOHSUPNGUTJ-HPNDGRJYSA-N. The full InChI is InChI=1S/C25H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(29)28-27-22-23-18-17-19-24(26)21-23/h17-19,21-22H,2-16,20H2,1H3,(H,28,29)/b27-22+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide?
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide has a molecular weight of 421.07 g/mol, XLogP of 8.05, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide is sourced from PubChem (CID 45054960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).