[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

C18H26Cl2N3O2+ — CID 9198266

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16-/m1/s1
InChIKeyFHLSOTNRMRTPAJ-MLGOLLRUSA-O
MW387.33 g/mol
LogP2.14
Rot. Bonds6

About [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 9198266) has the molecular formula C18H26Cl2N3O2+ and a molecular weight of 387.33 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID9198266
Molecular FormulaC18H26Cl2N3O2+
Molecular Weight387.33 g/mol
Exact Mass386.14
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16-/m1/s1
InChIKeyFHLSOTNRMRTPAJ-MLGOLLRUSA-O
XLogP2.14
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
1-(3,4-dichlorophenyl)-3-(2-methylcyclohexyl)thiourea
CID 19652564
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 11929427
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 11938350
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11938623
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
CID 11938603
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8559716
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 30736768
(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676651
N-[4-chloro-3-[(2-methylcyclopentyl)amino]phenyl]propanamide
CID 65044068

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 9198266) is [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is C[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is FHLSOTNRMRTPAJ-MLGOLLRUSA-O. The full InChI is InChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16-/m1/s1.
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium has a molecular weight of 387.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).