3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide

C12H16ClNO2 — CID 63680184

IUPAC3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccccc1CO
InChIInChI=1S/C12H16ClNO2/c1-12(2,8-13)11(16)14-10-6-4-3-5-9(10)7-15/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyBZSSKMOZFWAXBS-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.38
Rot. Bonds4

About 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide

3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 63680184) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID63680184
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccccc1CO
InChIInChI=1S/C12H16ClNO2/c1-12(2,8-13)11(16)14-10-6-4-3-5-9(10)7-15/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyBZSSKMOZFWAXBS-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
CID 63679610
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide (CID 63680184) is 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccccc1CO.
What is the InChIKey of 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is BZSSKMOZFWAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,8-13)11(16)14-10-6-4-3-5-9(10)7-15/h3-6,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63680184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).