[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium

C23H21F2N2O3+ — CID 9377018

IUPAC[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)oc1ccccc12
InChIInChI=1S/C23H20F2N2O3/c1-13(14-7-8-17(24)18(25)9-14)26-12-23(28)27-19-11-21-16(10-22(19)29-2)15-5-3-4-6-20(15)30-21/h3-11,13,26H,12H2,1-2H3,(H,27,28)/p+1/t13-/m1/s1
InChIKeyOGGLRCPNVQPGON-CYBMUJFWSA-O
MW411.43 g/mol
LogP4.14
Rot. Bonds6

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 9377018) has the molecular formula C23H21F2N2O3+ and a molecular weight of 411.43 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
PubChem CID9377018
Molecular FormulaC23H21F2N2O3+
Molecular Weight411.43 g/mol
Exact Mass411.15
IUPAC Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)oc1ccccc12
InChIInChI=1S/C23H20F2N2O3/c1-13(14-7-8-17(24)18(25)9-14)26-12-23(28)27-19-11-21-16(10-22(19)29-2)15-5-3-4-6-20(15)30-21/h3-11,13,26H,12H2,1-2H3,(H,27,28)/p+1/t13-/m1/s1
InChIKeyOGGLRCPNVQPGON-CYBMUJFWSA-O
XLogP4.14
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8710645
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7737162
2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
CID 2402947
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium (CID 9377018) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium is COc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)oc1ccccc12.
What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is OGGLRCPNVQPGON-CYBMUJFWSA-O. The full InChI is InChI=1S/C23H20F2N2O3/c1-13(14-7-8-17(24)18(25)9-14)26-12-23(28)27-19-11-21-16(10-22(19)29-2)15-5-3-4-6-20(15)30-21/h3-11,13,26H,12H2,1-2H3,(H,27,28)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium?
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 411.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9377018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).