2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide

C18H23ClN2O4 — CID 118773864

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
SMILESO=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C18H23ClN2O4/c19-13-9-17-16(24-5-6-25-17)7-12(13)8-18(22)20-14-10-23-11-15(14)21-3-1-2-4-21/h7,9,14-15H,1-6,8,10-11H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyTXWXZXJHNDDVOG-GJZGRUSLSA-N
MW366.85 g/mol
LogP1.63
Rot. Bonds4

About 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide (PubChem CID 118773864) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
PubChem CID118773864
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
SMILESO=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C18H23ClN2O4/c19-13-9-17-16(24-5-6-25-17)7-12(13)8-18(22)20-14-10-23-11-15(14)21-3-1-2-4-21/h7,9,14-15H,1-6,8,10-11H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyTXWXZXJHNDDVOG-GJZGRUSLSA-N
XLogP1.63
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 56748113
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide
CID 124753795
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 118779926
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 133260546
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 18930457

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide (CID 118773864) is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide is O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The InChIKey is TXWXZXJHNDDVOG-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c19-13-9-17-16(24-5-6-25-17)7-12(13)8-18(22)20-14-10-23-11-15(14)21-3-1-2-4-21/h7,9,14-15H,1-6,8,10-11H2,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide is sourced from PubChem (CID 118773864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).