N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide

C15H20ClNO2 — CID 113294792

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2(CCl)CCCC2)c1
InChIInChI=1S/C15H20ClNO2/c1-11-4-5-13(18)12(8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyRVEPAYOKPWDXRU-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide (PubChem CID 113294792) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
PubChem CID113294792
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2(CCl)CCCC2)c1
InChIInChI=1S/C15H20ClNO2/c1-11-4-5-13(18)12(8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyRVEPAYOKPWDXRU-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.23
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-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide (CID 113294792) is N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC2(CCl)CCCC2)c1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is RVEPAYOKPWDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-4-5-13(18)12(8-11)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 113294792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).