(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

C17H24ClFN2O2 — CID 27212161

IUPAC(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-3-8-21-9-6-14(7-10-21)20-17(22)12(2)23-16-5-4-13(19)11-15(16)18/h4-5,11-12,14H,3,6-10H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyAKQKTUPAUDMADZ-LBPRGKRZSA-N
MW342.84 g/mol
LogP3.24
Rot. Bonds6

About (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 27212161) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID27212161
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-3-8-21-9-6-14(7-10-21)20-17(22)12(2)23-16-5-4-13(19)11-15(16)18/h4-5,11-12,14H,3,6-10H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyAKQKTUPAUDMADZ-LBPRGKRZSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
CID 95156509
(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 52534478
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
2-(2-chloro-4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119564143
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (CID 27212161) is (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is AKQKTUPAUDMADZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-3-8-21-9-6-14(7-10-21)20-17(22)12(2)23-16-5-4-13(19)11-15(16)18/h4-5,11-12,14H,3,6-10H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 342.84 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 27212161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).