[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C18H22ClN2O2+ — CID 8797925

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-14-12-15(19)8-9-17(14)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)/p+1
InChIKeyXOGBAWWJBXGPCN-UHFFFAOYSA-O
MW333.84 g/mol
LogP2.18
Rot. Bonds7

About [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797925) has the molecular formula C18H22ClN2O2+ and a molecular weight of 333.84 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8797925
Molecular FormulaC18H22ClN2O2+
Molecular Weight333.84 g/mol
Exact Mass333.14
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-14-12-15(19)8-9-17(14)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)/p+1
InChIKeyXOGBAWWJBXGPCN-UHFFFAOYSA-O
XLogP2.18
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797642
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
2-(3-bromophenoxy)ethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036257
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8797925) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is Cc1cc(Cl)ccc1NC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is XOGBAWWJBXGPCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21ClN2O2/c1-14-12-15(19)8-9-17(14)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 333.84 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).