[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium

C19H28Cl2N3O2+ — CID 11938603

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/p+1/t12-,13-,16+/m1/s1
InChIKeyXLFAAFRPYYNEII-IOASZLSFSA-O
MW401.36 g/mol
LogP2.39
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium

[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 11938603) has the molecular formula C19H28Cl2N3O2+ and a molecular weight of 401.36 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
PubChem CID11938603
Molecular FormulaC19H28Cl2N3O2+
Molecular Weight401.36 g/mol
Exact Mass400.16
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/p+1/t12-,13-,16+/m1/s1
InChIKeyXLFAAFRPYYNEII-IOASZLSFSA-O
XLogP2.39
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129419826
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 11938350
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9198266
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 11930201
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11938623
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium (CID 11938603) is [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is XLFAAFRPYYNEII-IOASZLSFSA-O. The full InChI is InChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/p+1/t12-,13-,16+/m1/s1.
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium?
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 401.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 11938603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).