(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

C16H16Cl2FN2O+ — CID 9039568

IUPAC(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-3-2-4-14(17)16(11)18)10-15(22)20-13-7-5-12(19)6-8-13/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyDMMGAQAQZXHRKM-UHFFFAOYSA-O
MW342.22 g/mol
LogP2.79
Rot. Bonds5

About (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9039568) has the molecular formula C16H16Cl2FN2O+ and a molecular weight of 342.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9039568
Molecular FormulaC16H16Cl2FN2O+
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-3-2-4-14(17)16(11)18)10-15(22)20-13-7-5-12(19)6-8-13/h2-8H,9-10H2,1H3,(H,20,22)/p+1
InChIKeyDMMGAQAQZXHRKM-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-(4-cyanoanilino)-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2698653
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 8678630
(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 9039683
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253058
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253501

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9039568) is (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DMMGAQAQZXHRKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-21(9-11-3-2-4-14(17)16(11)18)10-15(22)20-13-7-5-12(19)6-8-13/h2-8H,9-10H2,1H3,(H,20,22)/p+1.
What are the key properties of (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-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 (2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9039568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).