N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide

C16H22ClNO2 — CID 114303437

IUPACN-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2(CCl)CCCCC2)c1
InChIInChI=1S/C16H22ClNO2/c1-20-14-7-5-6-13(10-14)11-15(19)18-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19)
InChIKeyRHARSXOIVJWSQW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds5

About N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide

N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 114303437) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
PubChem CID114303437
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2(CCl)CCCCC2)c1
InChIInChI=1S/C16H22ClNO2/c1-20-14-7-5-6-13(10-14)11-15(19)18-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19)
InChIKeyRHARSXOIVJWSQW-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
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

N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 113274875
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
CID 114303421
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide (CID 114303437) is N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2(CCl)CCCCC2)c1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is RHARSXOIVJWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-20-14-7-5-6-13(10-14)11-15(19)18-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 114303437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).