N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride

C14H19Cl2FN2O2 — CID 119476502

IUPACN-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O2.ClH/c15-12-7-11(5-6-13(12)16)20-8-14(19)18-10-3-1-9(17)2-4-10;/h5-7,9-10H,1-4,8,17H2,(H,18,19);1H
InChIKeyIBZVRKKTGXYQOL-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.67
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride (PubChem CID 119476502) has the molecular formula C14H19Cl2FN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
PubChem CID119476502
Molecular FormulaC14H19Cl2FN2O2
Molecular Weight337.22 g/mol
Exact Mass336.08
IUPAC NameN-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O2.ClH/c15-12-7-11(5-6-13(12)16)20-8-14(19)18-10-3-1-9(17)2-4-10;/h5-7,9-10H,1-4,8,17H2,(H,18,19);1H
InChIKeyIBZVRKKTGXYQOL-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride 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-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride (CID 119476502) is N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride is Cl.NC1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The InChIKey is IBZVRKKTGXYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2.ClH/c15-12-7-11(5-6-13(12)16)20-8-14(19)18-10-3-1-9(17)2-4-10;/h5-7,9-10H,1-4,8,17H2,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride has a molecular weight of 337.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).