cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C22H26FN2O+ — CID 8905315

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H25FN2O/c23-18-10-8-16(9-11-18)14-25(19-12-13-19)15-22(26)24-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,24,26)/p+1/t21-/m1/s1
InChIKeyDXLHQTHXLHHJKG-OAQYLSRUSA-O
MW353.46 g/mol
LogP2.57
Rot. Bonds6

About cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 8905315) has the molecular formula C22H26FN2O+ and a molecular weight of 353.46 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
PubChem CID8905315
Molecular FormulaC22H26FN2O+
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H25FN2O/c23-18-10-8-16(9-11-18)14-25(19-12-13-19)15-22(26)24-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,24,26)/p+1/t21-/m1/s1
InChIKeyDXLHQTHXLHHJKG-OAQYLSRUSA-O
XLogP2.57
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8977982
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8961887
2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4029271
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552388
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759159

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 8905315) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The InChIKey is DXLHQTHXLHHJKG-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H25FN2O/c23-18-10-8-16(9-11-18)14-25(19-12-13-19)15-22(26)24-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,24,26)/p+1/t21-/m1/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 353.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 8905315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).