2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

C21H22ClFN2O3 — CID 55703255

IUPAC2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O3/c1-14(28-17-8-6-15(22)7-9-17)20(26)24-16-10-12-25(13-11-16)21(27)18-4-2-3-5-19(18)23/h2-9,14,16H,10-13H2,1H3,(H,24,26)
InChIKeyXYJYZYOZZMOCSA-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 55703255) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID55703255
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O3/c1-14(28-17-8-6-15(22)7-9-17)20(26)24-16-10-12-25(13-11-16)21(27)18-4-2-3-5-19(18)23/h2-9,14,16H,10-13H2,1H3,(H,24,26)
InChIKeyXYJYZYOZZMOCSA-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108553138
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 55703255) is 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is XYJYZYOZZMOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c1-14(28-17-8-6-15(22)7-9-17)20(26)24-16-10-12-25(13-11-16)21(27)18-4-2-3-5-19(18)23/h2-9,14,16H,10-13H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 404.87 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 55703255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).