[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium

C15H22ClN2O+ — CID 7928366

IUPAC[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium
SMILESC[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(17-13-7-3-2-4-8-13)15(19)18-14-9-5-6-12(16)10-14/h5-6,9-11,13,17H,2-4,7-8H2,1H3,(H,18,19)/p+1/t11-/m1/s1
InChIKeyWSIRNPUWMQRVEJ-LLVKDONJSA-O
MW281.81 g/mol
LogP2.56
Rot. Bonds4

About [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium (PubChem CID 7928366) has the molecular formula C15H22ClN2O+ and a molecular weight of 281.81 g/mol. Its IUPAC name is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium.

Molecular Properties

Compound Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium
PubChem CID7928366
Molecular FormulaC15H22ClN2O+
Molecular Weight281.81 g/mol
Exact Mass281.14
IUPAC Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium
SMILESC[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(17-13-7-3-2-4-8-13)15(19)18-14-9-5-6-12(16)10-14/h5-6,9-11,13,17H,2-4,7-8H2,1H3,(H,18,19)/p+1/t11-/m1/s1
InChIKeyWSIRNPUWMQRVEJ-LLVKDONJSA-O
XLogP2.56
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium 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

[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444240
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
1-adamantyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]azanium
CID 9358471
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2363250
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 11918569
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium?
The IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium (CID 7928366) is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium.
What is the SMILES notation for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium?
The canonical SMILES for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium is C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium?
The InChIKey is WSIRNPUWMQRVEJ-LLVKDONJSA-O. The full InChI is InChI=1S/C15H21ClN2O/c1-11(17-13-7-3-2-4-8-13)15(19)18-14-9-5-6-12(16)10-14/h5-6,9-11,13,17H,2-4,7-8H2,1H3,(H,18,19)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium?
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium has a molecular weight of 281.81 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-cyclohexylazanium is sourced from PubChem (CID 7928366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).