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

C17H24ClFN2O3 — CID 120892148

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCOc2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C17H24ClFN2O3/c1-23-12-17(5-7-20-8-6-17)11-21-16(22)4-9-24-15-3-2-13(19)10-14(15)18/h2-3,10,20H,4-9,11-12H2,1H3,(H,21,22)
InChIKeyIBRQYOBCKFHDIC-UHFFFAOYSA-N
MW358.84 g/mol
LogP2.38
Rot. Bonds8

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

3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 120892148) has the molecular formula C17H24ClFN2O3 and a molecular weight of 358.84 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
PubChem CID120892148
Molecular FormulaC17H24ClFN2O3
Molecular Weight358.84 g/mol
Exact Mass358.15
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCOc2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C17H24ClFN2O3/c1-23-12-17(5-7-20-8-6-17)11-21-16(22)4-9-24-15-3-2-13(19)10-14(15)18/h2-3,10,20H,4-9,11-12H2,1H3,(H,21,22)
InChIKeyIBRQYOBCKFHDIC-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120891749
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888493
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888896
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300
3-(2-chloro-4-fluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812470
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
CID 156693611
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (CID 120892148) is 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is COCC1(CNC(=O)CCOc2ccc(F)cc2Cl)CCNCC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is IBRQYOBCKFHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O3/c1-23-12-17(5-7-20-8-6-17)11-21-16(22)4-9-24-15-3-2-13(19)10-14(15)18/h2-3,10,20H,4-9,11-12H2,1H3,(H,21,22).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 358.84 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 120892148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).