N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide

C15H20ClNO4 — CID 106443653

IUPACN-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2Cl)c(OC)c1OC
InChIInChI=1S/C15H20ClNO4/c1-19-12-8-7-9(13(20-2)14(12)21-3)15(18)17-11-6-4-5-10(11)16/h7-8,10-11H,4-6H2,1-3H3,(H,17,18)
InChIKeyPYHGOKJKAZCFSC-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.60
Rot. Bonds5

About N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide

N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide (PubChem CID 106443653) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
PubChem CID106443653
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC NameN-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2Cl)c(OC)c1OC
InChIInChI=1S/C15H20ClNO4/c1-19-12-8-7-9(13(20-2)14(12)21-3)15(18)17-11-6-4-5-10(11)16/h7-8,10-11H,4-6H2,1-3H3,(H,17,18)
InChIKeyPYHGOKJKAZCFSC-UHFFFAOYSA-N
XLogP2.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide (CID 106443653) is N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC2CCCC2Cl)c(OC)c1OC.
What is the InChIKey of N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide?
The InChIKey is PYHGOKJKAZCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-19-12-8-7-9(13(20-2)14(12)21-3)15(18)17-11-6-4-5-10(11)16/h7-8,10-11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide?
N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide has a molecular weight of 313.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 106443653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).