2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C20H17ClFN3O2 — CID 30007516

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C20H17ClFN3O2/c21-16-11-13(22)9-10-18(16)27-12-19(26)23-20-15-7-4-8-17(15)24-25(20)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,23,26)
InChIKeyDIPIJKSKQGPZEZ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 30007516) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID30007516
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C20H17ClFN3O2/c21-16-11-13(22)9-10-18(16)27-12-19(26)23-20-15-7-4-8-17(15)24-25(20)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,23,26)
InChIKeyDIPIJKSKQGPZEZ-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161
2-chloro-4-fluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007109
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 30007660
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 40868993
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
CID 56808607
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871721
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenoxy)acetamide
CID 7484156

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 30007516) is 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is O=C(COc1ccc(F)cc1Cl)Nc1c2c(nn1-c1ccccc1)CCC2.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is DIPIJKSKQGPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-16-11-13(22)9-10-18(16)27-12-19(26)23-20-15-7-4-8-17(15)24-25(20)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,23,26).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 385.83 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 30007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).