[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium

C19H22ClN2O3+ — CID 9306946

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)20)21-12-18(23)22-11-14-7-9-15(10-8-14)19(24)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,23)/p+1/t13-/m1/s1
InChIKeyLHBQZEMAPGKZNH-CYBMUJFWSA-O
MW361.85 g/mol
LogP2.07
Rot. Bonds7

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9306946) has the molecular formula C19H22ClN2O3+ and a molecular weight of 361.85 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9306946
Molecular FormulaC19H22ClN2O3+
Molecular Weight361.85 g/mol
Exact Mass361.13
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)20)21-12-18(23)22-11-14-7-9-15(10-8-14)19(24)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,23)/p+1/t13-/m1/s1
InChIKeyLHBQZEMAPGKZNH-CYBMUJFWSA-O
XLogP2.07
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9307272
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]azanium
CID 8598976
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8599138
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9253909
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031
methyl 4-[2-(2-chlorophenyl)-2-hydroxyethyl]benzoate
CID 67666844
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (CID 9306946) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is COC(=O)c1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is LHBQZEMAPGKZNH-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)20)21-12-18(23)22-11-14-7-9-15(10-8-14)19(24)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,23)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 361.85 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9306946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).