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

C18H20Cl2FN2O+ — CID 9197406

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19Cl2FN2O/c1-23(11-15-16(20)3-2-4-17(15)21)12-18(24)22-10-9-13-5-7-14(19)8-6-13/h2-8H,9-12H2,1H3,(H,22,24)/p+1
InChIKeyKLUPUDFCVQROKC-UHFFFAOYSA-O
MW370.28 g/mol
LogP2.51
Rot. Bonds7

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

(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium (PubChem CID 9197406) has the molecular formula C18H20Cl2FN2O+ and a molecular weight of 370.28 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
PubChem CID9197406
Molecular FormulaC18H20Cl2FN2O+
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19Cl2FN2O/c1-23(11-15-16(20)3-2-4-17(15)21)12-18(24)22-10-9-13-5-7-14(19)8-6-13/h2-8H,9-12H2,1H3,(H,22,24)/p+1
InChIKeyKLUPUDFCVQROKC-UHFFFAOYSA-O
XLogP2.51
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
(2-chloro-6-fluorophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197331
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
(2-chloro-6-fluorophenyl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 2555052
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
(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-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288101

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium (CID 9197406) is (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCCc1ccc(Cl)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
The InChIKey is KLUPUDFCVQROKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2FN2O/c1-23(11-15-16(20)3-2-4-17(15)21)12-18(24)22-10-9-13-5-7-14(19)8-6-13/h2-8H,9-12H2,1H3,(H,22,24)/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium has a molecular weight of 370.28 g/mol, XLogP of 2.51, 7 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-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9197406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).