3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide

C21H24ClFN2O2 — CID 55778319

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1Cl)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H24ClFN2O2/c22-19-14-17(23)7-8-20(19)27-12-9-21(26)24-18-6-4-5-16(13-18)15-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12,15H2,(H,24,26)
InChIKeyYEYYVNHDGIYMPL-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.87
Rot. Bonds7

About 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide

3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 55778319) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID55778319
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1Cl)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H24ClFN2O2/c22-19-14-17(23)7-8-20(19)27-12-9-21(26)24-18-6-4-5-16(13-18)15-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12,15H2,(H,24,26)
InChIKeyYEYYVNHDGIYMPL-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
1-[[3-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55801497
3-(2-chloro-4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87000979
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
3-(3-bromo-4-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 34453729
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805375

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide (CID 55778319) is 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide is O=C(CCOc1ccc(F)cc1Cl)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is YEYYVNHDGIYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c22-19-14-17(23)7-8-20(19)27-12-9-21(26)24-18-6-4-5-16(13-18)15-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12,15H2,(H,24,26).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).