[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C22H22ClN2O+ — CID 9307286

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H21ClN2O/c1-16(18-11-5-7-13-20(18)23)24-15-22(26)25-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14,16,24H,15H2,1H3,(H,25,26)/p+1/t16-/m1/s1
InChIKeyQFYZPGRYQFDJAX-MRXNPFEDSA-O
MW365.88 g/mol
LogP4.27
Rot. Bonds6

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 9307286) has the molecular formula C22H22ClN2O+ and a molecular weight of 365.88 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID9307286
Molecular FormulaC22H22ClN2O+
Molecular Weight365.88 g/mol
Exact Mass365.14
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H21ClN2O/c1-16(18-11-5-7-13-20(18)23)24-15-22(26)25-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14,16,24H,15H2,1H3,(H,25,26)/p+1/t16-/m1/s1
InChIKeyQFYZPGRYQFDJAX-MRXNPFEDSA-O
XLogP4.27
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710340
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[(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
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 9307286) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is QFYZPGRYQFDJAX-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H21ClN2O/c1-16(18-11-5-7-13-20(18)23)24-15-22(26)25-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14,16,24H,15H2,1H3,(H,25,26)/p+1/t16-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 365.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 9307286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).