2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide

C20H20Cl2F2N2O2 — CID 60550321

IUPAC2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H20Cl2F2N2O2/c21-14-2-3-16(22)19(10-14)28-12-20(27)25-15-5-7-26(8-6-15)11-13-1-4-17(23)18(24)9-13/h1-4,9-10,15H,5-8,11-12H2,(H,25,27)
InChIKeyWLOGTMGNOAIXAO-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.43
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 60550321) has the molecular formula C20H20Cl2F2N2O2 and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID60550321
Molecular FormulaC20H20Cl2F2N2O2
Molecular Weight429.29 g/mol
Exact Mass428.09
IUPAC Name2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H20Cl2F2N2O2/c21-14-2-3-16(22)19(10-14)28-12-20(27)25-15-5-7-26(8-6-15)11-13-1-4-17(23)18(24)9-13/h1-4,9-10,15H,5-8,11-12H2,(H,25,27)
InChIKeyWLOGTMGNOAIXAO-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide (CID 60550321) is 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is WLOGTMGNOAIXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O2/c21-14-2-3-16(22)19(10-14)28-12-20(27)25-15-5-7-26(8-6-15)11-13-1-4-17(23)18(24)9-13/h1-4,9-10,15H,5-8,11-12H2,(H,25,27).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 429.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 60550321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).