2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide

C23H26ClNO4 — CID 60569140

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H26ClNO4/c1-27-19-7-3-2-6-17(19)23(8-4-5-9-23)15-25-21(26)14-16-12-18(24)22-20(13-16)28-10-11-29-22/h2-3,6-7,12-13H,4-5,8-11,14-15H2,1H3,(H,25,26)
InChIKeyYDOXMKHGSNTMIH-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.29
Rot. Bonds6

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide (PubChem CID 60569140) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide
PubChem CID60569140
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H26ClNO4/c1-27-19-7-3-2-6-17(19)23(8-4-5-9-23)15-25-21(26)14-16-12-18(24)22-20(13-16)28-10-11-29-22/h2-3,6-7,12-13H,4-5,8-11,14-15H2,1H3,(H,25,26)
InChIKeyYDOXMKHGSNTMIH-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55658424
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 9048898
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034178
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
3-(3-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 60569078
N-[2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 55880096
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 78802193
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 39176126

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide (CID 60569140) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide is COc1ccccc1C1(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCCC1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide?
The InChIKey is YDOXMKHGSNTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-27-19-7-3-2-6-17(19)23(8-4-5-9-23)15-25-21(26)14-16-12-18(24)22-20(13-16)28-10-11-29-22/h2-3,6-7,12-13H,4-5,8-11,14-15H2,1H3,(H,25,26).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 60569140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).