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

C13H14ClNO3 — CID 146106549

IUPAC2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
SMILESO=C(CCl)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C13H14ClNO3/c14-8-12(16)15-13(3-4-13)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7H,3-6,8H2,(H,15,16)
InChIKeyMPNSWCDPKOOMPZ-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.80
Rot. Bonds3

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

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide (PubChem CID 146106549) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
PubChem CID146106549
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
SMILESO=C(CCl)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C13H14ClNO3/c14-8-12(16)15-13(3-4-13)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7H,3-6,8H2,(H,15,16)
InChIKeyMPNSWCDPKOOMPZ-UHFFFAOYSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113215932
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216084
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60500684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide (CID 146106549) is 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide is O=C(CCl)NC1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide?
The InChIKey is MPNSWCDPKOOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-8-12(16)15-13(3-4-13)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7H,3-6,8H2,(H,15,16).
What are the key properties of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide?
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide has a molecular weight of 267.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide is sourced from PubChem (CID 146106549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).