N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide

C18H17NO3 — CID 113091248

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(13-4-2-1-3-5-13)19-18(8-9-18)14-6-7-15-16(12-14)22-11-10-21-15/h1-7,12H,8-11H2,(H,19,20)
InChIKeyKZHAMRGXKSDLFL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide (PubChem CID 113091248) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
PubChem CID113091248
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(13-4-2-1-3-5-13)19-18(8-9-18)14-6-7-15-16(12-14)22-11-10-21-15/h1-7,12H,8-11H2,(H,19,20)
InChIKeyKZHAMRGXKSDLFL-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079
N-[1-(4-chlorophenyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46966635
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(pyridin-2-ylmethyl)urea
CID 113215953
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-formylpiperazine-1-carboxamide
CID 113215936
1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216084

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide (CID 113091248) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide is O=C(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide?
The InChIKey is KZHAMRGXKSDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(13-4-2-1-3-5-13)19-18(8-9-18)14-6-7-15-16(12-14)22-11-10-21-15/h1-7,12H,8-11H2,(H,19,20).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide is sourced from PubChem (CID 113091248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).