N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide

C22H23Cl2F3N2O3 — CID 10390905

IUPACN-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C22H23Cl2F3N2O3/c23-17-12-15(22(25,26)27)4-6-20(17)32-14-21(30)28-16-5-7-19(18(24)13-16)31-11-10-29-8-2-1-3-9-29/h4-7,12-13H,1-3,8-11,14H2,(H,28,30)
InChIKeyZSPYBAOJTLYSGL-UHFFFAOYSA-N
MW491.34 g/mol
LogP5.89
Rot. Bonds8

About N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide

N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 10390905) has the molecular formula C22H23Cl2F3N2O3 and a molecular weight of 491.34 g/mol. Its IUPAC name is N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
PubChem CID10390905
Molecular FormulaC22H23Cl2F3N2O3
Molecular Weight491.34 g/mol
Exact Mass490.10
IUPAC NameN-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C22H23Cl2F3N2O3/c23-17-12-15(22(25,26)27)4-6-20(17)32-14-21(30)28-16-5-7-19(18(24)13-16)31-11-10-29-8-2-1-3-9-29/h4-7,12-13H,1-3,8-11,14H2,(H,28,30)
InChIKeyZSPYBAOJTLYSGL-UHFFFAOYSA-N
XLogP5.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.34
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 24816267
N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 59691580
2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 10479701
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 67193233
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
CID 109013943
2-[[3-chloro-4-(2-piperidin-1-ylethoxy)anilino]methylidene]propanedinitrile
CID 168544057
N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 68887718
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide (CID 10390905) is N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZSPYBAOJTLYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2F3N2O3/c23-17-12-15(22(25,26)27)4-6-20(17)32-14-21(30)28-16-5-7-19(18(24)13-16)31-11-10-29-8-2-1-3-9-29/h4-7,12-13H,1-3,8-11,14H2,(H,28,30).
What are the key properties of N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 491.34 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 10390905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).