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

C18H17FN2O4 — CID 113178483

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17FN2O4/c1-12(22)21(11-18(23)20-14-4-2-13(19)3-5-14)15-6-7-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyIQIWKNNOCATJAS-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.59
Rot. Bonds4

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

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 113178483) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID113178483
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17FN2O4/c1-12(22)21(11-18(23)20-14-4-2-13(19)3-5-14)15-6-7-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyIQIWKNNOCATJAS-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113156578
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetyl-3,5-dichloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113179927
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113178466

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide (CID 113178483) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is IQIWKNNOCATJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-12(22)21(11-18(23)20-14-4-2-13(19)3-5-14)15-6-7-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.34 g/mol, XLogP of 2.59, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113178483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).