[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium

C22H21ClFN2O+ — CID 9307429

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O/c1-15(17-8-5-9-18(23)14-17)25-21(16-6-3-2-4-7-16)22(27)26-20-12-10-19(24)11-13-20/h2-15,21,25H,1H3,(H,26,27)/p+1/t15-,21+/m1/s1
InChIKeyRFRUZAQTZIUZIA-VFNWGFHPSA-O
MW383.87 g/mol
LogP4.48
Rot. Bonds6

About [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium (PubChem CID 9307429) has the molecular formula C22H21ClFN2O+ and a molecular weight of 383.87 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
PubChem CID9307429
Molecular FormulaC22H21ClFN2O+
Molecular Weight383.87 g/mol
Exact Mass383.13
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O/c1-15(17-8-5-9-18(23)14-17)25-21(16-6-3-2-4-7-16)22(27)26-20-12-10-19(24)11-13-20/h2-15,21,25H,1H3,(H,26,27)/p+1/t15-,21+/m1/s1
InChIKeyRFRUZAQTZIUZIA-VFNWGFHPSA-O
XLogP4.48
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium with MolForge

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Related Compounds

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 8599214
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-phenylethyl]azanium
CID 8898657
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755427
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918941
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
CID 70814155
[(1S)-1-(3-chlorophenyl)ethyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8599390

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium (CID 9307429) is [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium is C[C@@H]([NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is RFRUZAQTZIUZIA-VFNWGFHPSA-O. The full InChI is InChI=1S/C22H20ClFN2O/c1-15(17-8-5-9-18(23)14-17)25-21(16-6-3-2-4-7-16)22(27)26-20-12-10-19(24)11-13-20/h2-15,21,25H,1H3,(H,26,27)/p+1/t15-,21+/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 383.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 9307429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).