(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium

C17H18Cl2FN2O+ — CID 9197230

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-22(10-14-15(19)3-2-4-16(14)20)11-17(23)21-9-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3,(H,21,23)/p+1
InChIKeyPIGVIYCNWZOBRB-UHFFFAOYSA-O
MW356.25 g/mol
LogP2.46
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9197230) has the molecular formula C17H18Cl2FN2O+ and a molecular weight of 356.25 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID9197230
Molecular FormulaC17H18Cl2FN2O+
Molecular Weight356.25 g/mol
Exact Mass355.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-22(10-14-15(19)3-2-4-16(14)20)11-17(23)21-9-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3,(H,21,23)/p+1
InChIKeyPIGVIYCNWZOBRB-UHFFFAOYSA-O
XLogP2.46
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197406
(2-chloro-6-fluorophenyl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 2555052
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
(2-chloro-6-fluorophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197331
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2555475
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-methylazanium
CID 2509388
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium (CID 9197230) is (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is PIGVIYCNWZOBRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-22(10-14-15(19)3-2-4-16(14)20)11-17(23)21-9-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3,(H,21,23)/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 356.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9197230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).