N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

C11H14ClNO2 — CID 14911507

IUPACN-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C11H14ClNO2/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15)
InChIKeyYUMXSXMCOJETAO-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.03
Rot. Bonds1

About N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 14911507) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID14911507
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C11H14ClNO2/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15)
InChIKeyYUMXSXMCOJETAO-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 70976041
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
CID 165344311
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
cis-(1R,3S)-3-[(4-chloro-2-hydroxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065838
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide (CID 14911507) is N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is YUMXSXMCOJETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide?
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 14911507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).