N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide

C24H39Cl2NO2 — CID 14344747

IUPACN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O
InChIInChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28)
InChIKeyXNIGXYXNGOOKMT-UHFFFAOYSA-N
MW444.49 g/mol
LogP8.68
Rot. Bonds16

About N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide

N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide (PubChem CID 14344747) has the molecular formula C24H39Cl2NO2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide
PubChem CID14344747
Molecular FormulaC24H39Cl2NO2
Molecular Weight444.49 g/mol
Exact Mass443.24
IUPAC NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O
InChIInChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28)
InChIKeyXNIGXYXNGOOKMT-UHFFFAOYSA-N
XLogP8.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide?
The IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide (CID 14344747) is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide.
What is the SMILES notation for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide?
The canonical SMILES for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide?
The InChIKey is XNIGXYXNGOOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28).
What are the key properties of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide?
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide has a molecular weight of 444.49 g/mol, XLogP of 8.68, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide is sourced from PubChem (CID 14344747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).