[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium

C23H24ClN2O+ — CID 9307291

IUPAC[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C23H23ClN2O/c1-17(20-12-6-7-13-21(20)24)25-16-23(27)26-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14,17,25H,15-16H2,1H3,(H,26,27)/p+1/t17-/m1/s1
InChIKeyXNJHFEDSHWPFJJ-QGZVFWFLSA-O
MW379.91 g/mol
LogP4.19
Rot. Bonds7

About [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium

[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium (PubChem CID 9307291) has the molecular formula C23H24ClN2O+ and a molecular weight of 379.91 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
PubChem CID9307291
Molecular FormulaC23H24ClN2O+
Molecular Weight379.91 g/mol
Exact Mass379.16
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C23H23ClN2O/c1-17(20-12-6-7-13-21(20)24)25-16-23(27)26-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14,17,25H,15-16H2,1H3,(H,26,27)/p+1/t17-/m1/s1
InChIKeyXNJHFEDSHWPFJJ-QGZVFWFLSA-O
XLogP4.19
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710340
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301
[(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
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8599138
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium (CID 9307291) is [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The InChIKey is XNJHFEDSHWPFJJ-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H23ClN2O/c1-17(20-12-6-7-13-21(20)24)25-16-23(27)26-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14,17,25H,15-16H2,1H3,(H,26,27)/p+1/t17-/m1/s1.
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium has a molecular weight of 379.91 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9307291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).