[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

C16H16Cl2FN2O+ — CID 9252010

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-5-7-12(19)8-6-11)10-15(22)20-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyWRTCWPDYWKQKNL-UHFFFAOYSA-O
MW342.22 g/mol
LogP2.79
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (PubChem CID 9252010) has the molecular formula C16H16Cl2FN2O+ and a molecular weight of 342.22 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
PubChem CID9252010
Molecular FormulaC16H16Cl2FN2O+
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-5-7-12(19)8-6-11)10-15(22)20-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyWRTCWPDYWKQKNL-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

(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9039568
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907858
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
N-(2,3-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997822
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028549
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9042178

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (CID 9252010) is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(F)cc1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The InChIKey is WRTCWPDYWKQKNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-21(9-11-5-7-12(19)8-6-11)10-15(22)20-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-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-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9252010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).