2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide

C10H12ClNO2 — CID 11063778

IUPAC2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(14)12(2)8-3-5-9(13)6-4-8/h3-7,13H,1-2H3
InChIKeyZQANARJRNPBJDC-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.98
Rot. Bonds2

About 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide

2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 11063778) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID11063778
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(14)12(2)8-3-5-9(13)6-4-8/h3-7,13H,1-2H3
InChIKeyZQANARJRNPBJDC-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
CID 82110850
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 82032140
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 62726677
1-ethyl-3-(4-hydroxyphenyl)-1,3-dimethylurea
CID 79159272
N-(4-formylphenyl)-N,2-dimethylpropanamide
CID 142058328
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876
N-(4-hydroxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 103606278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide (CID 11063778) is 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide is CC(Cl)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is ZQANARJRNPBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(11)10(14)12(2)8-3-5-9(13)6-4-8/h3-7,13H,1-2H3.
What are the key properties of 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide?
2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 213.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 11063778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).