[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

C16H16Cl2FN2O+ — CID 2714090

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-12(17)6-4-7-14(11)19)10-16(22)20-15-8-3-2-5-13(15)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyVDMLTTOETIUENZ-UHFFFAOYSA-O
MW342.22 g/mol
LogP2.79
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (PubChem CID 2714090) has the molecular formula C16H16Cl2FN2O+ and a molecular weight of 342.22 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
PubChem CID2714090
Molecular FormulaC16H16Cl2FN2O+
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-12(17)6-4-7-14(11)19)10-16(22)20-15-8-3-2-5-13(15)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyVDMLTTOETIUENZ-UHFFFAOYSA-O
XLogP2.79
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-methylazanium
CID 2509388
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-chloro-6-fluorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
(2-chloro-6-fluorophenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 9197353
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197414
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197406
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (CID 2714090) is [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1ccccc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The InChIKey is VDMLTTOETIUENZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-21(9-11-12(17)6-4-7-14(11)19)10-16(22)20-15-8-3-2-5-13(15)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium has a molecular weight of 342.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2714090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).