2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide

C20H20ClF3N2O2 — CID 175733306

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)N[C@H]1CCCN(c2cccc(C(F)F)c2)C1
InChIInChI=1S/C20H20ClF3N2O2/c21-17-7-6-16(10-18(17)22)28-12-19(27)25-14-4-2-8-26(11-14)15-5-1-3-13(9-15)20(23)24/h1,3,5-7,9-10,14,20H,2,4,8,11-12H2,(H,25,27)/t14-/m0/s1
InChIKeyREEUZXDKPHFUSG-AWEZNQCLSA-N
MW412.84 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide (PubChem CID 175733306) has the molecular formula C20H20ClF3N2O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide
PubChem CID175733306
Molecular FormulaC20H20ClF3N2O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)N[C@H]1CCCN(c2cccc(C(F)F)c2)C1
InChIInChI=1S/C20H20ClF3N2O2/c21-17-7-6-16(10-18(17)22)28-12-19(27)25-14-4-2-8-26(11-14)15-5-1-3-13(9-15)20(23)24/h1,3,5-7,9-10,14,20H,2,4,8,11-12H2,(H,25,27)/t14-/m0/s1
InChIKeyREEUZXDKPHFUSG-AWEZNQCLSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 175746278
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
2-(4-chloro-3-fluorophenoxy)-N-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 139517484
2-chloro-5-[2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]amino]-2-oxoethoxy]-N-hydroxybenzeneamine oxide
CID 163994338

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide (CID 175733306) is 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)N[C@H]1CCCN(c2cccc(C(F)F)c2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide?
The InChIKey is REEUZXDKPHFUSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2/c21-17-7-6-16(10-18(17)22)28-12-19(27)25-14-4-2-8-26(11-14)15-5-1-3-13(9-15)20(23)24/h1,3,5-7,9-10,14,20H,2,4,8,11-12H2,(H,25,27)/t14-/m0/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide has a molecular weight of 412.84 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 175733306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).