[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium

C18H20ClN2O2+ — CID 9057793

IUPAC[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)/p+1
InChIKeyGPCRAKHFPKOAQX-UHFFFAOYSA-O
MW331.82 g/mol
LogP2.20
Rot. Bonds6

About [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium

[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium (PubChem CID 9057793) has the molecular formula C18H20ClN2O2+ and a molecular weight of 331.82 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
PubChem CID9057793
Molecular FormulaC18H20ClN2O2+
Molecular Weight331.82 g/mol
Exact Mass331.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)/p+1
InChIKeyGPCRAKHFPKOAQX-UHFFFAOYSA-O
XLogP2.20
TPSA50.61 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057833
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
CID 60565344

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium (CID 9057793) is [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium is CC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium?
The InChIKey is GPCRAKHFPKOAQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)/p+1.
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium?
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium has a molecular weight of 331.82 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9057793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).