2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C24H22ClF2N3O3 — CID 162282428

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCc2cnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)[nH]2)cc1F
InChIInChI=1S/C24H22ClF2N3O3/c1-14-2-3-16(6-19(14)26)32-9-15-8-28-22(29-15)23-11-24(12-23,13-23)30-21(31)10-33-17-4-5-18(25)20(27)7-17/h2-8H,9-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyROSBMOJUSRHUBC-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.60
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 162282428) has the molecular formula C24H22ClF2N3O3 and a molecular weight of 473.91 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID162282428
Molecular FormulaC24H22ClF2N3O3
Molecular Weight473.91 g/mol
Exact Mass473.13
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCc2cnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)[nH]2)cc1F
InChIInChI=1S/C24H22ClF2N3O3/c1-14-2-3-16(6-19(14)26)32-9-15-8-28-22(29-15)23-11-24(12-23,13-23)30-21(31)10-33-17-4-5-18(25)20(27)7-17/h2-8H,9-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyROSBMOJUSRHUBC-UHFFFAOYSA-N
XLogP4.60
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chloro-3-fluorophenoxy)-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[[4-(1,1-difluoroethyl)phenoxy]methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 162282427
N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 162084237
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 162299196
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
CID 154979264
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 138736192
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 162282428) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1ccc(OCc2cnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)[nH]2)cc1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is ROSBMOJUSRHUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O3/c1-14-2-3-16(6-19(14)26)32-9-15-8-28-22(29-15)23-11-24(12-23,13-23)30-21(31)10-33-17-4-5-18(25)20(27)7-17/h2-8H,9-13H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 473.91 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 162282428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).