[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C22H21F2N2O+ — CID 9377059

IUPAC[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O/c1-15(17-11-12-19(23)20(24)13-17)25-14-22(27)26-21-10-6-5-9-18(21)16-7-3-2-4-8-16/h2-13,15,25H,14H2,1H3,(H,26,27)/p+1/t15-/m1/s1
InChIKeySYQWCFOZVVIJKK-OAHLLOKOSA-O
MW367.42 g/mol
LogP3.89
Rot. Bonds6

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 9377059) has the molecular formula C22H21F2N2O+ and a molecular weight of 367.42 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID9377059
Molecular FormulaC22H21F2N2O+
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O/c1-15(17-11-12-19(23)20(24)13-17)25-14-22(27)26-21-10-6-5-9-18(21)16-7-3-2-4-8-16/h2-13,15,25H,14H2,1H3,(H,26,27)/p+1/t15-/m1/s1
InChIKeySYQWCFOZVVIJKK-OAHLLOKOSA-O
XLogP3.89
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
[2-(2-cyanoanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376303
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]azanium
CID 9376793
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9044003

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 9377059) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is SYQWCFOZVVIJKK-OAHLLOKOSA-O. The full InChI is InChI=1S/C22H20F2N2O/c1-15(17-11-12-19(23)20(24)13-17)25-14-22(27)26-21-10-6-5-9-18(21)16-7-3-2-4-8-16/h2-13,15,25H,14H2,1H3,(H,26,27)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 367.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 9377059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).