N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide

C15H20Cl2N2O2 — CID 4525639

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H20Cl2N2O2/c1-2-3-4-5-6-7-14(20)19-18-10-11-8-12(16)9-13(17)15(11)21/h8-10,21H,2-7H2,1H3,(H,19,20)
InChIKeyMYJPXJSHNNUDTJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.51
Rot. Bonds8

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide (PubChem CID 4525639) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide
PubChem CID4525639
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H20Cl2N2O2/c1-2-3-4-5-6-7-14(20)19-18-10-11-8-12(16)9-13(17)15(11)21/h8-10,21H,2-7H2,1H3,(H,19,20)
InChIKeyMYJPXJSHNNUDTJ-UHFFFAOYSA-N
XLogP4.51
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide (CID 4525639) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide is CCCCCCCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide?
The InChIKey is MYJPXJSHNNUDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-2-3-4-5-6-7-14(20)19-18-10-11-8-12(16)9-13(17)15(11)21/h8-10,21H,2-7H2,1H3,(H,19,20).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide has a molecular weight of 331.24 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]octanamide is sourced from PubChem (CID 4525639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).