2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide

C24H25ClF3N3O5 — CID 142585937

IUPAC2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)n1)NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)[C@@H](O)C2
InChIInChI=1S/C24H25ClF3N3O5/c25-15-4-6-16(7-5-15)35-13-20(34)31-23-10-8-22(9-11-23,12-18(23)32)30-19(33)14-36-21-3-1-2-17(29-21)24(26,27)28/h1-7,18,32H,8-14H2,(H,30,33)(H,31,34)/t18-,22?,23?/m0/s1
InChIKeyBMPPBHHAOSCWSC-NWLLBJEDSA-N
MW527.93 g/mol
LogP3.26
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide

2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide (PubChem CID 142585937) has the molecular formula C24H25ClF3N3O5 and a molecular weight of 527.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
PubChem CID142585937
Molecular FormulaC24H25ClF3N3O5
Molecular Weight527.93 g/mol
Exact Mass527.14
IUPAC Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)n1)NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)[C@@H](O)C2
InChIInChI=1S/C24H25ClF3N3O5/c25-15-4-6-16(7-5-15)35-13-20(34)31-23-10-8-22(9-11-23,12-18(23)32)30-19(33)14-36-21-3-1-2-17(29-21)24(26,27)28/h1-7,18,32H,8-14H2,(H,30,33)(H,31,34)/t18-,22?,23?/m0/s1
InChIKeyBMPPBHHAOSCWSC-NWLLBJEDSA-N
XLogP3.26
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.93
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 154698971
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(6-methoxy-2-pyridinyl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585690
2-(3,4-difluorophenoxy)-N-[(3S)-4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585841
2-(4-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585918
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-fluorophenoxy)acetamide
CID 142585754
N-[(3S)-4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 155303010
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 155092836
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-fluoro-4-(trifluoromethoxy)phenoxy]acetamide
CID 142585670
2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155092923
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155092860
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155254489
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-chloro-3-fluorophenyl)acetamide
CID 142585679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide (CID 142585937) is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide is O=C(COc1cccc(C(F)(F)F)n1)NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)[C@@H](O)C2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide?
The InChIKey is BMPPBHHAOSCWSC-NWLLBJEDSA-N. The full InChI is InChI=1S/C24H25ClF3N3O5/c25-15-4-6-16(7-5-15)35-13-20(34)31-23-10-8-22(9-11-23,12-18(23)32)30-19(33)14-36-21-3-1-2-17(29-21)24(26,27)28/h1-7,18,32H,8-14H2,(H,30,33)(H,31,34)/t18-,22?,23?/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide?
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide has a molecular weight of 527.93 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide is sourced from PubChem (CID 142585937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).