N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide

C16H22ClNO2 — CID 103969522

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-13(6-5-7-14(12)19)15(20)18-11-16(10-17)8-3-2-4-9-16/h5-7,19H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyWSSNPRBTMDNCJS-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.62
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 103969522) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
PubChem CID103969522
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-13(6-5-7-14(12)19)15(20)18-11-16(10-17)8-3-2-4-9-16/h5-7,19H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyWSSNPRBTMDNCJS-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide (CID 103969522) is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is WSSNPRBTMDNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-13(6-5-7-14(12)19)15(20)18-11-16(10-17)8-3-2-4-9-16/h5-7,19H,2-4,8-11H2,1H3,(H,18,20).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103969522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).