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

C10H11Cl2NO2 — CID 59817322

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C10H11Cl2NO2/c1-3-8(14)13-7-4-6(11)5(2)9(12)10(7)15/h4,15H,3H2,1-2H3,(H,13,14)
InChIKeyRIDOYAKECZVCPK-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.36
Rot. Bonds2

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

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide (PubChem CID 59817322) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
PubChem CID59817322
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C10H11Cl2NO2/c1-3-8(14)13-7-4-6(11)5(2)9(12)10(7)15/h4,15H,3H2,1-2H3,(H,13,14)
InChIKeyRIDOYAKECZVCPK-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)octadecanamide
CID 154397523
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[[(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamoylamino]methyl]urea
CID 58828937
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
CID 4110221
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 23566060
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
CID 101298629

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide (CID 59817322) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide is CCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is RIDOYAKECZVCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-3-8(14)13-7-4-6(11)5(2)9(12)10(7)15/h4,15H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 248.11 g/mol, XLogP of 3.36, 2 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)propanamide is sourced from PubChem (CID 59817322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).