[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium

C17H26ClN2O+ — CID 9265532

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-13-11-14(18)9-10-16(13)20-17(21)12-19-15-7-5-3-2-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21)/p+1
InChIKeyWARGFUYIQYZDGD-UHFFFAOYSA-O
MW309.86 g/mol
LogP3.26
Rot. Bonds4

About [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium (PubChem CID 9265532) has the molecular formula C17H26ClN2O+ and a molecular weight of 309.86 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
PubChem CID9265532
Molecular FormulaC17H26ClN2O+
Molecular Weight309.86 g/mol
Exact Mass309.17
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-13-11-14(18)9-10-16(13)20-17(21)12-19-15-7-5-3-2-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21)/p+1
InChIKeyWARGFUYIQYZDGD-UHFFFAOYSA-O
XLogP3.26
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265552
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
CID 9265335
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
N-[[4-(4-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 3497267
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272169
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium (CID 9265532) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium is Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1CCCCCCC1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium?
The InChIKey is WARGFUYIQYZDGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25ClN2O/c1-13-11-14(18)9-10-16(13)20-17(21)12-19-15-7-5-3-2-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21)/p+1.
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium?
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium has a molecular weight of 309.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium is sourced from PubChem (CID 9265532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).