2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide

C21H22ClNO3 — CID 55907604

IUPAC2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22ClNO3/c1-2-18(13-7-8-19-20(11-13)26-10-9-25-19)23-21(24)16-12-15(16)14-5-3-4-6-17(14)22/h3-8,11,15-16,18H,2,9-10,12H2,1H3,(H,23,24)
InChIKeyRMZUDAQINXOYLC-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.48
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 55907604) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
PubChem CID55907604
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22ClNO3/c1-2-18(13-7-8-19-20(11-13)26-10-9-25-19)23-21(24)16-12-15(16)14-5-3-4-6-17(14)22/h3-8,11,15-16,18H,2,9-10,12H2,1H3,(H,23,24)
InChIKeyRMZUDAQINXOYLC-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide
CID 55921576
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55889444
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
CID 119742450
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119299785
(3R,4S)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120926853
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55908904
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-N'-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N'-methyloxamide
CID 166189943
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide (CID 55907604) is 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide is CCC(NC(=O)C1CC1c1ccccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is RMZUDAQINXOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-2-18(13-7-8-19-20(11-13)26-10-9-25-19)23-21(24)16-12-15(16)14-5-3-4-6-17(14)22/h3-8,11,15-16,18H,2,9-10,12H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 371.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55907604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).