[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium

C18H22ClN2O+ — CID 9307031

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14(16-9-5-6-10-17(16)19)21-13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14,21H,11-13H2,1H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyUSFXVJNCCBNKIP-AWEZNQCLSA-O
MW317.84 g/mol
LogP2.32
Rot. Bonds7

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium (PubChem CID 9307031) has the molecular formula C18H22ClN2O+ and a molecular weight of 317.84 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
PubChem CID9307031
Molecular FormulaC18H22ClN2O+
Molecular Weight317.84 g/mol
Exact Mass317.14
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14(16-9-5-6-10-17(16)19)21-13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14,21H,11-13H2,1H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyUSFXVJNCCBNKIP-AWEZNQCLSA-O
XLogP2.32
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8599138
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599022
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9307272
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8688786
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium (CID 9307031) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium is C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium?
The InChIKey is USFXVJNCCBNKIP-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H21ClN2O/c1-14(16-9-5-6-10-17(16)19)21-13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14,21H,11-13H2,1H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium has a molecular weight of 317.84 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium is sourced from PubChem (CID 9307031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).