2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C10H8Cl3NO3 — CID 3300974

IUPAC2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Nc1ccc2c(c1Cl)OCCO2)C(Cl)Cl
InChIInChI=1S/C10H8Cl3NO3/c11-7-5(14-10(15)9(12)13)1-2-6-8(7)17-4-3-16-6/h1-2,9H,3-4H2,(H,14,15)
InChIKeyUUTMIUVJBAFYFB-UHFFFAOYSA-N
MW296.54 g/mol
LogP2.85
Rot. Bonds2

About 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3300974) has the molecular formula C10H8Cl3NO3 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID3300974
Molecular FormulaC10H8Cl3NO3
Molecular Weight296.54 g/mol
Exact Mass294.96
IUPAC Name2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Nc1ccc2c(c1Cl)OCCO2)C(Cl)Cl
InChIInChI=1S/C10H8Cl3NO3/c11-7-5(14-10(15)9(12)13)1-2-6-8(7)17-4-3-16-6/h1-2,9H,3-4H2,(H,14,15)
InChIKeyUUTMIUVJBAFYFB-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 52.85
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

(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
3-amino-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117397479
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 117325928
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
CID 4120076
(2S)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 25323299
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103766761
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 117324379

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3300974) is 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Nc1ccc2c(c1Cl)OCCO2)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is UUTMIUVJBAFYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO3/c11-7-5(14-10(15)9(12)13)1-2-6-8(7)17-4-3-16-6/h1-2,9H,3-4H2,(H,14,15).
What are the key properties of 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 296.54 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3300974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).