N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide

C20H22F2N2O3 — CID 112798467

IUPACN-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide
SMILESCCN(CC1COc2ccccc2O1)C(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-3-24(11-15-12-26-18-6-4-5-7-19(18)27-15)13(2)20(25)23-17-9-8-14(21)10-16(17)22/h4-10,13,15H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyVJFODARXTQEPPC-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.45
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide

N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide (PubChem CID 112798467) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide
PubChem CID112798467
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide
SMILESCCN(CC1COc2ccccc2O1)C(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-3-24(11-15-12-26-18-6-4-5-7-19(18)27-15)13(2)20(25)23-17-9-8-14(21)10-16(17)22/h4-10,13,15H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyVJFODARXTQEPPC-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(2-fluorophenyl)urea
CID 78793604
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-phenylacetic acid
CID 136550180
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(2-fluorophenyl)acetamide
CID 78771801
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839498
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-fluorobenzamide
CID 78771786
2-(2,5-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 18098542
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60833770
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propan-2-ylacetamide
CID 66568540
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropanamide
CID 112810885
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
(2R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-fluorophenoxy)propanamide
CID 94010612

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide (CID 112798467) is N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide is CCN(CC1COc2ccccc2O1)C(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide?
The InChIKey is VJFODARXTQEPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-3-24(11-15-12-26-18-6-4-5-7-19(18)27-15)13(2)20(25)23-17-9-8-14(21)10-16(17)22/h4-10,13,15H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide?
N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide has a molecular weight of 376.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propanamide is sourced from PubChem (CID 112798467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).