N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide

C14H18ClNO3 — CID 106444066

IUPACN-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-18-9-6-7-13(19-2)10(8-9)14(17)16-12-5-3-4-11(12)15/h6-8,11-12H,3-5H2,1-2H3,(H,16,17)
InChIKeyVSDAXTNTIAZHOR-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.59
Rot. Bonds4

About N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide

N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide (PubChem CID 106444066) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
PubChem CID106444066
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-18-9-6-7-13(19-2)10(8-9)14(17)16-12-5-3-4-11(12)15/h6-8,11-12H,3-5H2,1-2H3,(H,16,17)
InChIKeyVSDAXTNTIAZHOR-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.59
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

N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
CID 106443653
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide (CID 106444066) is N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2CCCC2Cl)c1.
What is the InChIKey of N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide?
The InChIKey is VSDAXTNTIAZHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-18-9-6-7-13(19-2)10(8-9)14(17)16-12-5-3-4-11(12)15/h6-8,11-12H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide?
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 106444066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).