N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

C11H13Cl2NO2 — CID 103891250

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)10(16)14-8-5-6(12)4-7(13)9(8)15/h4-5,15H,1-3H3,(H,14,16)
InChIKeyNPDWSOFTFOEZMJ-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.68
Rot. Bonds1

About N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 103891250) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID103891250
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)10(16)14-8-5-6(12)4-7(13)9(8)15/h4-5,15H,1-3H3,(H,14,16)
InChIKeyNPDWSOFTFOEZMJ-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.68
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-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 103891112
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17099775
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide
CID 104625918
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide (CID 103891250) is N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is NPDWSOFTFOEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,3)10(16)14-8-5-6(12)4-7(13)9(8)15/h4-5,15H,1-3H3,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 262.14 g/mol, XLogP of 3.68, 1 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-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 103891250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).