[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C18H21ClN3O2+ — CID 2698061

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)20-17(23)11-22(2)12-18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1
InChIKeyYIDCFSIFCXPSBJ-UHFFFAOYSA-O
MW346.84 g/mol
LogP1.74
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 2698061) has the molecular formula C18H21ClN3O2+ and a molecular weight of 346.84 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID2698061
Molecular FormulaC18H21ClN3O2+
Molecular Weight346.84 g/mol
Exact Mass346.13
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)20-17(23)11-22(2)12-18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1
InChIKeyYIDCFSIFCXPSBJ-UHFFFAOYSA-O
XLogP1.74
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 9037200
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9434244
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555751
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304035
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287213
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9036328
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 8843577

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 2698061) is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is YIDCFSIFCXPSBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)20-17(23)11-22(2)12-18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 346.84 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).