[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

C19H24ClN2O+ — CID 8907858

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H23ClN2O/c1-4-15-8-10-16(11-9-15)12-22(3)13-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyDURXFHNYOFHJPB-UHFFFAOYSA-O
MW331.87 g/mol
LogP2.86
Rot. Bonds6

About [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (PubChem CID 8907858) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
PubChem CID8907858
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H23ClN2O/c1-4-15-8-10-16(11-9-15)12-22(3)13-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyDURXFHNYOFHJPB-UHFFFAOYSA-O
XLogP2.86
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9042178
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302794
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054944
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
(4-ethylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7830803
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8794472
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (CID 8907858) is [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is CCc1ccc(C[NH+](C)CC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The InChIKey is DURXFHNYOFHJPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-4-15-8-10-16(11-9-15)12-22(3)13-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium has a molecular weight of 331.87 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8907858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).