2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

C19H18Cl2N2O4 — CID 24981836

IUPAC2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-2-23(19(25)14-5-3-12(20)9-15(14)21)11-18(24)22-13-4-6-16-17(10-13)27-8-7-26-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,24)
InChIKeyNNGHEFKJWVNYJT-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.87
Rot. Bonds5

About 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 24981836) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID24981836
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-2-23(19(25)14-5-3-12(20)9-15(14)21)11-18(24)22-13-4-6-16-17(10-13)27-8-7-26-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,24)
InChIKeyNNGHEFKJWVNYJT-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (CID 24981836) is 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is NNGHEFKJWVNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-2-23(19(25)14-5-3-12(20)9-15(14)21)11-18(24)22-13-4-6-16-17(10-13)27-8-7-26-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?
2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 409.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 24981836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).