(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C17H19Cl2N2O+ — CID 2714126

IUPAC(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-3-6-14(7-4-12)20-17(22)11-21(2)10-13-5-8-15(18)16(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyTXMYXOYJOMBHBO-UHFFFAOYSA-O
MW338.26 g/mol
LogP2.96
Rot. Bonds5

About (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 2714126) has the molecular formula C17H19Cl2N2O+ and a molecular weight of 338.26 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID2714126
Molecular FormulaC17H19Cl2N2O+
Molecular Weight338.26 g/mol
Exact Mass337.09
IUPAC Name(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-3-6-14(7-4-12)20-17(22)11-21(2)10-13-5-8-15(18)16(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyTXMYXOYJOMBHBO-UHFFFAOYSA-O
XLogP2.96
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9251455
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
[2-(3-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9251576
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024893
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785754
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 2658737

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 2714126) is (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is TXMYXOYJOMBHBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-3-6-14(7-4-12)20-17(22)11-21(2)10-13-5-8-15(18)16(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 338.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2714126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).