N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide

C15H20Cl2N2O — CID 162368542

IUPACN-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H20Cl2N2O/c1-19(14-5-3-2-4-13(14)18)15(20)8-10-6-7-11(16)9-12(10)17/h6-7,9,13-14H,2-5,8,18H2,1H3/t13-,14-/m0/s1
InChIKeyGBQRFKKKAALQDC-KBPBESRZSA-N
MW315.24 g/mol
LogP3.26
Rot. Bonds3

About N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide

N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide (PubChem CID 162368542) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
PubChem CID162368542
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H20Cl2N2O/c1-19(14-5-3-2-4-13(14)18)15(20)8-10-6-7-11(16)9-12(10)17/h6-7,9,13-14H,2-5,8,18H2,1H3/t13-,14-/m0/s1
InChIKeyGBQRFKKKAALQDC-KBPBESRZSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide 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-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 102639130

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide (CID 162368542) is N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N.
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is GBQRFKKKAALQDC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-19(14-5-3-2-4-13(14)18)15(20)8-10-6-7-11(16)9-12(10)17/h6-7,9,13-14H,2-5,8,18H2,1H3/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 315.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 162368542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).