(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium

C18H21ClFN2O+ — CID 2657931

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cc(C)cc(NC(=O)C[NH+](C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O/c1-12-7-13(2)9-14(8-12)21-18(23)11-22(3)10-15-16(19)5-4-6-17(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyMOYDYDTYRVHVPO-UHFFFAOYSA-O
MW335.83 g/mol
LogP2.75
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 2657931) has the molecular formula C18H21ClFN2O+ and a molecular weight of 335.83 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID2657931
Molecular FormulaC18H21ClFN2O+
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cc(C)cc(NC(=O)C[NH+](C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O/c1-12-7-13(2)9-14(8-12)21-18(23)11-22(3)10-15-16(19)5-4-6-17(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyMOYDYDTYRVHVPO-UHFFFAOYSA-O
XLogP2.75
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[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-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197414
(2-chloro-6-fluorophenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 9197353
(2-chloro-6-fluorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9197276
N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 107583887
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium (CID 2657931) is (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cc(C)cc(NC(=O)C[NH+](C)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is MOYDYDTYRVHVPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClFN2O/c1-12-7-13(2)9-14(8-12)21-18(23)11-22(3)10-15-16(19)5-4-6-17(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 335.83 g/mol, XLogP of 2.75, 5 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-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2657931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).