2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide

C23H18ClFN4O2 — CID 110083199

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C23H18ClFN4O2/c24-20-11-18(4-5-21(20)25)31-14-22(30)27-12-15-2-1-3-17(10-15)23-19(13-28-29-23)16-6-8-26-9-7-16/h1-11,13H,12,14H2,(H,27,30)(H,28,29)
InChIKeyRUIPSOLSNWOPIY-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.63
Rot. Bonds7

About 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 110083199) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide
PubChem CID110083199
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C23H18ClFN4O2/c24-20-11-18(4-5-21(20)25)31-14-22(30)27-12-15-2-1-3-17(10-15)23-19(13-28-29-23)16-6-8-26-9-7-16/h1-11,13H,12,14H2,(H,27,30)(H,28,29)
InChIKeyRUIPSOLSNWOPIY-UHFFFAOYSA-N
XLogP4.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 173044703
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 44622677
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 67188011
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 69087224
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide (CID 110083199) is 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide is O=C(COc1ccc(F)c(Cl)c1)NCc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is RUIPSOLSNWOPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-20-11-18(4-5-21(20)25)31-14-22(30)27-12-15-2-1-3-17(10-15)23-19(13-28-29-23)16-6-8-26-9-7-16/h1-11,13H,12,14H2,(H,27,30)(H,28,29).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 436.87 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 110083199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).