N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide

C21H23ClN2O3 — CID 46681491

IUPACN-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c22-16-4-1-2-5-17(16)23-21(25)9-11-24-10-3-6-18(24)15-7-8-19-20(14-15)27-13-12-26-19/h1-2,4-5,7-8,14,18H,3,6,9-13H2,(H,23,25)
InChIKeyZOQYNFGFVLGHSY-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.28
Rot. Bonds5

About N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide

N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide (PubChem CID 46681491) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide
PubChem CID46681491
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c22-16-4-1-2-5-17(16)23-21(25)9-11-24-10-3-6-18(24)15-7-8-19-20(14-15)27-13-12-26-19/h1-2,4-5,7-8,14,18H,3,6,9-13H2,(H,23,25)
InChIKeyZOQYNFGFVLGHSY-UHFFFAOYSA-N
XLogP4.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 9444757
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 51172225
N-(2-chloro-4-methylphenyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9444909
2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 9434621
N-(2-acetylphenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434897
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 124732454
N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9445369
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 41254100
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9444305
ethyl 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 9445248
N-(2-chlorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654443
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9444879

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide (CID 46681491) is N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCCC1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is ZOQYNFGFVLGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-16-4-1-2-5-17(16)23-21(25)9-11-24-10-3-6-18(24)15-7-8-19-20(14-15)27-13-12-26-19/h1-2,4-5,7-8,14,18H,3,6,9-13H2,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 386.88 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 46681491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).