[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium

C23H31ClN3O2+ — CID 2532502

IUPAC[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1
InChIInChI=1S/C23H30ClN3O2/c1-27(19-9-4-3-5-10-19)16-17-8-6-7-11-20(17)25-15-23(28)26-21-14-18(24)12-13-22(21)29-2/h6-8,11-14,19,25H,3-5,9-10,15-16H2,1-2H3,(H,26,28)/p+1
InChIKeyKSCFAZBUAIMLBH-UHFFFAOYSA-O
MW416.97 g/mol
LogP3.75
Rot. Bonds8

About [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium

[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium (PubChem CID 2532502) has the molecular formula C23H31ClN3O2+ and a molecular weight of 416.97 g/mol. Its IUPAC name is [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium.

Molecular Properties

Compound Name[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
PubChem CID2532502
Molecular FormulaC23H31ClN3O2+
Molecular Weight416.97 g/mol
Exact Mass416.21
IUPAC Name[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1
InChIInChI=1S/C23H30ClN3O2/c1-27(19-9-4-3-5-10-19)16-17-8-6-7-11-20(17)25-15-23(28)26-21-14-18(24)12-13-22(21)29-2/h6-8,11-14,19,25H,3-5,9-10,15-16H2,1-2H3,(H,26,28)/p+1
InChIKeyKSCFAZBUAIMLBH-UHFFFAOYSA-O
XLogP3.75
TPSA54.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium with MolForge

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Related Compounds

[2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
CID 2420495
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The IUPAC name of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium (CID 2532502) is [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium.
What is the SMILES notation for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The canonical SMILES for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium is COc1ccc(Cl)cc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1.
What is the InChIKey of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The InChIKey is KSCFAZBUAIMLBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30ClN3O2/c1-27(19-9-4-3-5-10-19)16-17-8-6-7-11-20(17)25-15-23(28)26-21-14-18(24)12-13-22(21)29-2/h6-8,11-14,19,25H,3-5,9-10,15-16H2,1-2H3,(H,26,28)/p+1.
What are the key properties of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium has a molecular weight of 416.97 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium is sourced from PubChem (CID 2532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).