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

C21H25Cl2NO3 — CID 101298635

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
SMILESCCCCCc1cccc(OCCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C21H25Cl2NO3/c1-3-4-5-7-15-8-6-9-16(12-15)27-11-10-19(25)24-18-13-17(22)14(2)20(23)21(18)26/h6,8-9,12-13,26H,3-5,7,10-11H2,1-2H3,(H,24,25)
InChIKeyVIMDTBKLWXTFHT-UHFFFAOYSA-N
MW410.34 g/mol
LogP6.15
Rot. Bonds9

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

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide (PubChem CID 101298635) has the molecular formula C21H25Cl2NO3 and a molecular weight of 410.34 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
PubChem CID101298635
Molecular FormulaC21H25Cl2NO3
Molecular Weight410.34 g/mol
Exact Mass409.12
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
SMILESCCCCCc1cccc(OCCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C21H25Cl2NO3/c1-3-4-5-7-15-8-6-9-16(12-15)27-11-10-19(25)24-18-13-17(22)14(2)20(23)21(18)26/h6,8-9,12-13,26H,3-5,7,10-11H2,1-2H3,(H,24,25)
InChIKeyVIMDTBKLWXTFHT-UHFFFAOYSA-N
XLogP6.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-2-(3-tetradecylphenoxy)acetamide
CID 101298629
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide
CID 101298681
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619
4-(3-pentadecylphenoxy)butanamide
CID 22354511
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
CID 5236290
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide (CID 101298635) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide is CCCCCc1cccc(OCCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide?
The InChIKey is VIMDTBKLWXTFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO3/c1-3-4-5-7-15-8-6-9-16(12-15)27-11-10-19(25)24-18-13-17(22)14(2)20(23)21(18)26/h6,8-9,12-13,26H,3-5,7,10-11H2,1-2H3,(H,24,25).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide has a molecular weight of 410.34 g/mol, XLogP of 6.15, 9 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-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide is sourced from PubChem (CID 101298635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).