2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide

C19H19ClN2O4 — CID 113178487

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O4/c1-12-15(20)4-3-5-16(12)21-19(24)11-22(13(2)23)14-6-7-17-18(10-14)26-9-8-25-17/h3-7,10H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyBWPLYKFQUAFCSA-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.41
Rot. Bonds4

About 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113178487) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113178487
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O4/c1-12-15(20)4-3-5-16(12)21-19(24)11-22(13(2)23)14-6-7-17-18(10-14)26-9-8-25-17/h3-7,10H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyBWPLYKFQUAFCSA-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113178466
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 26115229
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(N-acetyl-3,4-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 113178487) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is BWPLYKFQUAFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-12-15(20)4-3-5-16(12)21-19(24)11-22(13(2)23)14-6-7-17-18(10-14)26-9-8-25-17/h3-7,10H,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 374.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113178487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).