2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C20H17Cl2N3O3 — CID 16575024

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C20H17Cl2N3O3/c21-15-4-2-1-3-14(15)12-25-18(5-6-23-25)24-19(26)11-13-9-16(22)20-17(10-13)27-7-8-28-20/h1-6,9-10H,7-8,11-12H2,(H,24,26)
InChIKeySVSGXIKPMKLUJK-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.19
Rot. Bonds5

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 16575024) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID16575024
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C20H17Cl2N3O3/c21-15-4-2-1-3-14(15)12-25-18(5-6-23-25)24-19(26)11-13-9-16(22)20-17(10-13)27-7-8-28-20/h1-6,9-10H,7-8,11-12H2,(H,24,26)
InChIKeySVSGXIKPMKLUJK-UHFFFAOYSA-N
XLogP4.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 38994894
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CID 24555905
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 55496936
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16560070
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 16575024) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is SVSGXIKPMKLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c21-15-4-2-1-3-14(15)12-25-18(5-6-23-25)24-19(26)11-13-9-16(22)20-17(10-13)27-7-8-28-20/h1-6,9-10H,7-8,11-12H2,(H,24,26).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 418.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 16575024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).