2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

C19H21BrN2O3 — CID 24534428

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1COc2ccccc2O1)Cc1ccccc1Br
InChIInChI=1S/C19H21BrN2O3/c1-22(11-14-6-2-3-7-16(14)20)12-19(23)21-10-15-13-24-17-8-4-5-9-18(17)25-15/h2-9,15H,10-13H2,1H3,(H,21,23)
InChIKeyCSCQYIRFEBRDNW-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.84
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (PubChem CID 24534428) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
PubChem CID24534428
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1COc2ccccc2O1)Cc1ccccc1Br
InChIInChI=1S/C19H21BrN2O3/c1-22(11-14-6-2-3-7-16(14)20)12-19(23)21-10-15-13-24-17-8-4-5-9-18(17)25-15/h2-9,15H,10-13H2,1H3,(H,21,23)
InChIKeyCSCQYIRFEBRDNW-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18087589
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 24682249
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18166372
2-(4-bromophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 8872759
2-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 17419339
2-(2-bromophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18171240
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methoxy-N-methylanilino)acetamide
CID 60505460
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethylphenyl)acetamide
CID 100583739
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125076647
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 100583862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (CID 24534428) is 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is CN(CC(=O)NCC1COc2ccccc2O1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The InChIKey is CSCQYIRFEBRDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-22(11-14-6-2-3-7-16(14)20)12-19(23)21-10-15-13-24-17-8-4-5-9-18(17)25-15/h2-9,15H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide has a molecular weight of 405.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is sourced from PubChem (CID 24534428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).