N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide

C16H22ClNO2 — CID 114303922

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
SMILESCC1CCCC(CCl)(NC(=O)Cc2ccccc2O)C1
InChIInChI=1S/C16H22ClNO2/c1-12-5-4-8-16(10-12,11-17)18-15(20)9-13-6-2-3-7-14(13)19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyWZRUQGKZPFHUHP-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 114303922) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID114303922
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
SMILESCC1CCCC(CCl)(NC(=O)Cc2ccccc2O)C1
InChIInChI=1S/C16H22ClNO2/c1-12-5-4-8-16(10-12,11-17)18-15(20)9-13-6-2-3-7-14(13)19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyWZRUQGKZPFHUHP-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.24
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-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304114
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
CID 114303953
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenoxy)acetamide
CID 114303938
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732635
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-hydroxypyridine-4-carboxamide
CID 114304004
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
CID 114304094
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114304149
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
CID 114304010

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide (CID 114303922) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide is CC1CCCC(CCl)(NC(=O)Cc2ccccc2O)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is WZRUQGKZPFHUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-5-4-8-16(10-12,11-17)18-15(20)9-13-6-2-3-7-14(13)19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).