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

C18H20ClN2O2+ — CID 9307053

IUPAC[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESCC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(16-5-3-4-6-17(16)19)20-11-18(23)21-15-9-7-14(8-10-15)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1
InChIKeyHSHYLLKVOSLVHW-GFCCVEGCSA-O
MW331.82 g/mol
LogP2.81
Rot. Bonds6

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

[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium (PubChem CID 9307053) has the molecular formula C18H20ClN2O2+ and a molecular weight of 331.82 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
PubChem CID9307053
Molecular FormulaC18H20ClN2O2+
Molecular Weight331.82 g/mol
Exact Mass331.12
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
SMILESCC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(16-5-3-4-6-17(16)19)20-11-18(23)21-15-9-7-14(8-10-15)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1
InChIKeyHSHYLLKVOSLVHW-GFCCVEGCSA-O
XLogP2.81
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium
CID 8593365
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 9306864
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710340
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 9306989
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium (CID 9307053) is [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium is CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
The InChIKey is HSHYLLKVOSLVHW-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(16-5-3-4-6-17(16)19)20-11-18(23)21-15-9-7-14(8-10-15)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1.
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium?
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium has a molecular weight of 331.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9307053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).