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

C12H14Cl2N2O2 — CID 135478700

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-4-11(17)16-15-7-8-5-9(13)6-10(14)12(8)18/h5-7,18H,2-4H2,1H3,(H,16,17)/b15-7-
InChIKeyRGLJQLOTIYVHJG-CHHVJCJISA-N
MW289.16 g/mol
LogP3.34
Rot. Bonds5

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

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide (PubChem CID 135478700) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide
PubChem CID135478700
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-4-11(17)16-15-7-8-5-9(13)6-10(14)12(8)18/h5-7,18H,2-4H2,1H3,(H,16,17)/b15-7-
InChIKeyRGLJQLOTIYVHJG-CHHVJCJISA-N
XLogP3.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide (CID 135478700) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is RGLJQLOTIYVHJG-CHHVJCJISA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-3-4-11(17)16-15-7-8-5-9(13)6-10(14)12(8)18/h5-7,18H,2-4H2,1H3,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 289.16 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 135478700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).