2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide

C20H19BrFNO3 — CID 39968072

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H19BrFNO3/c21-17-11-19-18(25-7-8-26-19)9-14(17)10-20(24)23(16-5-6-16)12-13-1-3-15(22)4-2-13/h1-4,9,11,16H,5-8,10,12H2
InChIKeyVOGPVXCTCNLTHD-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.09
Rot. Bonds5

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 39968072) has the molecular formula C20H19BrFNO3 and a molecular weight of 420.28 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID39968072
Molecular FormulaC20H19BrFNO3
Molecular Weight420.28 g/mol
Exact Mass419.05
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H19BrFNO3/c21-17-11-19-18(25-7-8-26-19)9-14(17)10-20(24)23(16-5-6-16)12-13-1-3-15(22)4-2-13/h1-4,9,11,16H,5-8,10,12H2
InChIKeyVOGPVXCTCNLTHD-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide
CID 60526454
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18133640
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431067
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18200595
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide (CID 39968072) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cc1cc2c(cc1Br)OCCO2)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VOGPVXCTCNLTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO3/c21-17-11-19-18(25-7-8-26-19)9-14(17)10-20(24)23(16-5-6-16)12-13-1-3-15(22)4-2-13/h1-4,9,11,16H,5-8,10,12H2.
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 420.28 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 39968072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).