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

C19H22FN2O+ — CID 8008447

IUPAC[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-13(19(23)22-18-11-5-4-10-16(18)20)21-17-12-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-11,13,17,21H,6,8,12H2,1H3,(H,22,23)/p+1/t13-,17+/m1/s1
InChIKeyDITOUOYHNGHVKX-DYVFJYSZSA-O
MW313.40 g/mol
LogP2.79
Rot. Bonds4

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

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 8008447) has the molecular formula C19H22FN2O+ and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID8008447
Molecular FormulaC19H22FN2O+
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-13(19(23)22-18-11-5-4-10-16(18)20)21-17-12-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-11,13,17,21H,6,8,12H2,1H3,(H,22,23)/p+1/t13-,17+/m1/s1
InChIKeyDITOUOYHNGHVKX-DYVFJYSZSA-O
XLogP2.79
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2539824
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7831526
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8830674
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2433602
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
(2S)-N-(2-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8876911
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 8008447) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is DITOUOYHNGHVKX-DYVFJYSZSA-O. The full InChI is InChI=1S/C19H21FN2O/c1-13(19(23)22-18-11-5-4-10-16(18)20)21-17-12-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-11,13,17,21H,6,8,12H2,1H3,(H,22,23)/p+1/t13-,17+/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 313.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 8008447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).