2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

C14H16ClNO3 — CID 66568539

IUPAC2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-8-13(17)16(11-4-5-11)9-10-2-1-3-12-14(10)19-7-6-18-12/h1-3,11H,4-9H2
InChIKeySNSZRHJJWIAVAV-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.19
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide (PubChem CID 66568539) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
PubChem CID66568539
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-8-13(17)16(11-4-5-11)9-10-2-1-3-12-14(10)19-7-6-18-12/h1-3,11H,4-9H2
InChIKeySNSZRHJJWIAVAV-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide (CID 66568539) is 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide is O=C(CCl)N(Cc1cccc2c1OCCO2)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The InChIKey is SNSZRHJJWIAVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-8-13(17)16(11-4-5-11)9-10-2-1-3-12-14(10)19-7-6-18-12/h1-3,11H,4-9H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide has a molecular weight of 281.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide is sourced from PubChem (CID 66568539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).