N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide

C25H41Cl2NO2 — CID 154397523

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C25H41Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29)28-22-19-21(26)20(2)24(27)25(22)30/h19,30H,3-18H2,1-2H3,(H,28,29)
InChIKeyXMLNFBOAMGNBEH-UHFFFAOYSA-N
MW458.51 g/mol
LogP9.21
Rot. Bonds17

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide (PubChem CID 154397523) has the molecular formula C25H41Cl2NO2 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
PubChem CID154397523
Molecular FormulaC25H41Cl2NO2
Molecular Weight458.51 g/mol
Exact Mass457.25
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C25H41Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29)28-22-19-21(26)20(2)24(27)25(22)30/h19,30H,3-18H2,1-2H3,(H,28,29)
InChIKeyXMLNFBOAMGNBEH-UHFFFAOYSA-N
XLogP9.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 59.21
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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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
CID 101298635
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
CID 101298629
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide (CID 154397523) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide?
The InChIKey is XMLNFBOAMGNBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29)28-22-19-21(26)20(2)24(27)25(22)30/h19,30H,3-18H2,1-2H3,(H,28,29).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide has a molecular weight of 458.51 g/mol, XLogP of 9.21, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide is sourced from PubChem (CID 154397523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).