N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide

C20H20ClNO3 — CID 55451344

IUPACN-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H20ClNO3/c21-15-5-1-2-6-16(15)22-19(23)20(9-3-4-10-20)14-7-8-17-18(13-14)25-12-11-24-17/h1-2,5-8,13H,3-4,9-12H2,(H,22,23)
InChIKeyLLEARQJWBKRVLD-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.56
Rot. Bonds3

About N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide

N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide (PubChem CID 55451344) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
PubChem CID55451344
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H20ClNO3/c21-15-5-1-2-6-16(15)22-19(23)20(9-3-4-10-20)14-7-8-17-18(13-14)25-12-11-24-17/h1-2,5-8,13H,3-4,9-12H2,(H,22,23)
InChIKeyLLEARQJWBKRVLD-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 113198918
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 113198710
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
N-(5-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198728
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 113198740
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 55547687
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 55779910
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989522

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide (CID 55451344) is N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide is O=C(Nc1ccccc1Cl)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The InChIKey is LLEARQJWBKRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-15-5-1-2-6-16(15)22-19(23)20(9-3-4-10-20)14-7-8-17-18(13-14)25-12-11-24-17/h1-2,5-8,13H,3-4,9-12H2,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55451344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).