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

C18H19ClN2O3 — CID 18085953

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12(14-4-2-3-5-15(14)19)20-11-18(22)21-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10,12,20H,8-9,11H2,1H3,(H,21,22)
InChIKeySCPCMVBYCLONLT-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.40
Rot. Bonds5

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

2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 18085953) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID18085953
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12(14-4-2-3-5-15(14)19)20-11-18(22)21-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10,12,20H,8-9,11H2,1H3,(H,21,22)
InChIKeySCPCMVBYCLONLT-UHFFFAOYSA-N
XLogP3.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 42885351
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463651
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 18085953) is 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is SCPCMVBYCLONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(14-4-2-3-5-15(14)19)20-11-18(22)21-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10,12,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 18085953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).