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

C11H11Cl2NO2 — CID 4110221

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C11H11Cl2NO2/c1-5(2)11(16)14-8-4-7(12)6(3)9(13)10(8)15/h4,15H,1H2,2-3H3,(H,14,16)
InChIKeyYZMLVMMJVKBSRF-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.52
Rot. Bonds2

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

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide (PubChem CID 4110221) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
PubChem CID4110221
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C11H11Cl2NO2/c1-5(2)11(16)14-8-4-7(12)6(3)9(13)10(8)15/h4,15H,1H2,2-3H3,(H,14,16)
InChIKeyYZMLVMMJVKBSRF-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[[(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamoylamino]methyl]urea
CID 58828937
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 23566060
1-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 87654577
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-[4-[(3,5-dichloro-4-hydroxy-2-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 15954944

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide (CID 4110221) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide?
The InChIKey is YZMLVMMJVKBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-5(2)11(16)14-8-4-7(12)6(3)9(13)10(8)15/h4,15H,1H2,2-3H3,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide has a molecular weight of 260.12 g/mol, XLogP of 3.52, 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)-2-methylprop-2-enamide is sourced from PubChem (CID 4110221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).