3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide

C23H23ClF3N3O3 — CID 157175024

IUPAC3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H23ClF3N3O3/c1-14-9-16(5-6-17(14)24)33-10-19(31)30-22-11-21(12-22,13-22)20(32)28-8-7-15-3-2-4-18(29-15)23(25,26)27/h2-6,9H,7-8,10-13H2,1H3,(H,28,32)(H,30,31)
InChIKeyKUXJZCFCGGTVOJ-UHFFFAOYSA-N
MW481.90 g/mol
LogP3.84
Rot. Bonds8

About 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157175024) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID157175024
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H23ClF3N3O3/c1-14-9-16(5-6-17(14)24)33-10-19(31)30-22-11-21(12-22,13-22)20(32)28-8-7-15-3-2-4-18(29-15)23(25,26)27/h2-6,9H,7-8,10-13H2,1H3,(H,28,32)(H,30,31)
InChIKeyKUXJZCFCGGTVOJ-UHFFFAOYSA-N
XLogP3.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 159517030
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 138736192
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 138736201
N-[2-(7aH-indol-3-yl)ethyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide
CID 163466305
N-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 165071544
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
CID 157221769
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 142585993
2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165089960
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 160801845

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 157175024) is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is KUXJZCFCGGTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c1-14-9-16(5-6-17(14)24)33-10-19(31)30-22-11-21(12-22,13-22)20(32)28-8-7-15-3-2-4-18(29-15)23(25,26)27/h2-6,9H,7-8,10-13H2,1H3,(H,28,32)(H,30,31).
What are the key properties of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 481.90 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157175024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).