N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C24H21F3N2O5 — CID 43008598

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C24H21F3N2O5/c1-2-29(14-22(30)28-17-6-7-19-21(13-17)33-11-10-32-19)23(31)20-9-8-18(34-20)15-4-3-5-16(12-15)24(25,26)27/h3-9,12-13H,2,10-11,14H2,1H3,(H,28,30)
InChIKeyDMFQHFRXPNNGLV-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 43008598) has the molecular formula C24H21F3N2O5 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID43008598
Molecular FormulaC24H21F3N2O5
Molecular Weight474.44 g/mol
Exact Mass474.14
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C24H21F3N2O5/c1-2-29(14-22(30)28-17-6-7-19-21(13-17)33-11-10-32-19)23(31)20-9-8-18(34-20)15-4-3-5-16(12-15)24(25,26)27/h3-9,12-13H,2,10-11,14H2,1H3,(H,28,30)
InChIKeyDMFQHFRXPNNGLV-UHFFFAOYSA-N
XLogP4.84
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24982786
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide;hydrochloride
CID 119267292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24508654
5-(3-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 46417722
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3,5-difluorobenzamide
CID 27833437
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42976953
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119179461
N,1-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]azetidine-2-carboxamide
CID 3851485
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 27833410
2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 4786420
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 43008598) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is DMFQHFRXPNNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O5/c1-2-29(14-22(30)28-17-6-7-19-21(13-17)33-11-10-32-19)23(31)20-9-8-18(34-20)15-4-3-5-16(12-15)24(25,26)27/h3-9,12-13H,2,10-11,14H2,1H3,(H,28,30).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 43008598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).