N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide

C15H20ClNO2 — CID 114306751

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC2CCl)cc1O
InChIInChI=1S/C15H20ClNO2/c1-10-5-6-11(7-14(10)18)15(19)17-9-13-4-2-3-12(13)8-16/h5-7,12-13,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyDDAWKLFIUUBTRG-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.09
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide (PubChem CID 114306751) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
PubChem CID114306751
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC2CCl)cc1O
InChIInChI=1S/C15H20ClNO2/c1-10-5-6-11(7-14(10)18)15(19)17-9-13-4-2-3-12(13)8-16/h5-7,12-13,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyDDAWKLFIUUBTRG-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
CID 113273857
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-cyanobenzamide
CID 114306941

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide (CID 114306751) is N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCCC2CCl)cc1O.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is DDAWKLFIUUBTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-5-6-11(7-14(10)18)15(19)17-9-13-4-2-3-12(13)8-16/h5-7,12-13,18H,2-4,8-9H2,1H3,(H,17,19).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 114306751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).