N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide

C20H20F2N2O4 — CID 51192686

IUPACN-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20F2N2O4/c1-12(13-2-5-17-18(10-13)28-9-8-27-17)24-19(25)6-7-23-20(26)15-4-3-14(21)11-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyAUEFQDYMMTXNQK-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.73
Rot. Bonds6

About N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 51192686) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID51192686
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20F2N2O4/c1-12(13-2-5-17-18(10-13)28-9-8-27-17)24-19(25)6-7-23-20(26)15-4-3-14(21)11-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyAUEFQDYMMTXNQK-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
2,4-difluoro-N-[3-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethylamino]propyl]benzamide
CID 55709547
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 18114854
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51317758
2,4-dichloro-N-[2-[[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 25435322
2,4-difluoro-N-[4-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 25489927
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 7671670
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664258

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide (CID 51192686) is N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide is CC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is AUEFQDYMMTXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-12(13-2-5-17-18(10-13)28-9-8-27-17)24-19(25)6-7-23-20(26)15-4-3-14(21)11-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 390.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51192686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).