2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium

C24H24FN2O3+ — CID 2402947

IUPAC2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/p+1/t15-/m1/s1
InChIKeyXMCCCCGCKFLYEM-OAHLLOKOSA-O
MW407.47 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium

2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 2402947) has the molecular formula C24H24FN2O3+ and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
PubChem CID2402947
Molecular FormulaC24H24FN2O3+
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/p+1/t15-/m1/s1
InChIKeyXMCCCCGCKFLYEM-OAHLLOKOSA-O
XLogP3.87
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8516163
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
CID 9377018

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium (CID 2402947) is 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium is COc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1)oc1ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is XMCCCCGCKFLYEM-OAHLLOKOSA-O. The full InChI is InChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/p+1/t15-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium?
2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 407.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 2402947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).