2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

C16H23Cl2FN2O3 — CID 120888896

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)COc2ccc(F)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H22ClFN2O3.ClH/c1-22-11-16(4-6-19-7-5-16)10-20-15(21)9-23-12-2-3-14(18)13(17)8-12;/h2-3,8,19H,4-7,9-11H2,1H3,(H,20,21);1H
InChIKeyVLOXYWFJZPSLQN-UHFFFAOYSA-N
MW381.28 g/mol
LogP2.41
Rot. Bonds7

About 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120888896) has the molecular formula C16H23Cl2FN2O3 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120888896
Molecular FormulaC16H23Cl2FN2O3
Molecular Weight381.28 g/mol
Exact Mass380.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)COc2ccc(F)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H22ClFN2O3.ClH/c1-22-11-16(4-6-19-7-5-16)10-20-15(21)9-23-12-2-3-14(18)13(17)8-12;/h2-3,8,19H,4-7,9-11H2,1H3,(H,20,21);1H
InChIKeyVLOXYWFJZPSLQN-UHFFFAOYSA-N
XLogP2.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943889

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120888896) is 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)COc2ccc(F)c(Cl)c2)CCNCC1.Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is VLOXYWFJZPSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3.ClH/c1-22-11-16(4-6-19-7-5-16)10-20-15(21)9-23-12-2-3-14(18)13(17)8-12;/h2-3,8,19H,4-7,9-11H2,1H3,(H,20,21);1H.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 381.28 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).