N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide

C16H22ClNO3 — CID 114306706

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCCC2CCl)c1
InChIInChI=1S/C16H22ClNO3/c1-20-13-6-7-15(21-2)14(8-13)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyQTFVGXJTQZPMHO-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.09
Rot. Bonds6

About N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide (PubChem CID 114306706) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
PubChem CID114306706
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCCC2CCl)c1
InChIInChI=1S/C16H22ClNO3/c1-20-13-6-7-15(21-2)14(8-13)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyQTFVGXJTQZPMHO-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide (CID 114306706) is N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCC2CCCC2CCl)c1.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide?
The InChIKey is QTFVGXJTQZPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-20-13-6-7-15(21-2)14(8-13)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide has a molecular weight of 311.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 114306706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).