[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

C17H18Cl2FN2O+ — CID 8909306

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESCc1ccc(Cl)c(NC(=O)C[NH+](C)Cc2cccc(F)c2)c1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-11-6-7-14(18)17(16(11)19)21-15(23)10-22(2)9-12-4-3-5-13(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1
InChIKeyCXEWRVWRCKCCPV-UHFFFAOYSA-O
MW356.25 g/mol
LogP3.09
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (PubChem CID 8909306) has the molecular formula C17H18Cl2FN2O+ and a molecular weight of 356.25 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
PubChem CID8909306
Molecular FormulaC17H18Cl2FN2O+
Molecular Weight356.25 g/mol
Exact Mass355.08
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESCc1ccc(Cl)c(NC(=O)C[NH+](C)Cc2cccc(F)c2)c1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-11-6-7-14(18)17(16(11)19)21-15(23)10-22(2)9-12-4-3-5-13(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1
InChIKeyCXEWRVWRCKCCPV-UHFFFAOYSA-O
XLogP3.09
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024893
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8961732
[2-(4-bromoanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8908958
(3-fluorophenyl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 8961869
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (CID 8909306) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is Cc1ccc(Cl)c(NC(=O)C[NH+](C)Cc2cccc(F)c2)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The InChIKey is CXEWRVWRCKCCPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-11-6-7-14(18)17(16(11)19)21-15(23)10-22(2)9-12-4-3-5-13(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1.
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium has a molecular weight of 356.25 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8909306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).