[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C24H24FN2O+ — CID 2539824

IUPAC[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO=C(Nc1ccc(F)cc1)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H23FN2O/c25-19-13-15-20(16-14-19)26-24(28)23(18-8-2-1-3-9-18)27-22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,13-16,22-23,27H,6,10,12H2,(H,26,28)/p+1/t22-,23+/m1/s1
InChIKeyGLJYVJAOPRIBRX-PKTZIBPZSA-O
MW375.47 g/mol
LogP4.15
Rot. Bonds5

About [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 2539824) has the molecular formula C24H24FN2O+ and a molecular weight of 375.47 g/mol. Its IUPAC name is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID2539824
Molecular FormulaC24H24FN2O+
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESO=C(Nc1ccc(F)cc1)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H23FN2O/c25-19-13-15-20(16-14-19)26-24(28)23(18-8-2-1-3-9-18)27-22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,13-16,22-23,27H,6,10,12H2,(H,26,28)/p+1/t22-,23+/m1/s1
InChIKeyGLJYVJAOPRIBRX-PKTZIBPZSA-O
XLogP4.15
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2433602
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
(2R)-N-(4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2560661
(2S)-N-(4-methylphenyl)-2-phenyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2560664
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8008447
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8773946
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium
CID 8773845
2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4029271
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 2539824) is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is O=C(Nc1ccc(F)cc1)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is GLJYVJAOPRIBRX-PKTZIBPZSA-O. The full InChI is InChI=1S/C24H23FN2O/c25-19-13-15-20(16-14-19)26-24(28)23(18-8-2-1-3-9-18)27-22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,13-16,22-23,27H,6,10,12H2,(H,26,28)/p+1/t22-,23+/m1/s1.
What are the key properties of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 375.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 2539824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).