N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide

C22H15FN4O2 — CID 166221555

IUPACN-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C22H15FN4O2/c23-18-11-17(6-8-21(18)29-20-4-2-1-3-15(20)12-24)26-22(28)10-14-5-7-19-16(9-14)13-25-27-19/h1-9,11,13H,10H2,(H,25,27)(H,26,28)
InChIKeyXORDEJLQANVZLL-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.55
Rot. Bonds5

About N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide

N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide (PubChem CID 166221555) has the molecular formula C22H15FN4O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide
PubChem CID166221555
Molecular FormulaC22H15FN4O2
Molecular Weight386.39 g/mol
Exact Mass386.12
IUPAC NameN-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C22H15FN4O2/c23-18-11-17(6-8-21(18)29-20-4-2-1-3-15(20)12-24)26-22(28)10-14-5-7-19-16(9-14)13-25-27-19/h1-9,11,13H,10H2,(H,25,27)(H,26,28)
InChIKeyXORDEJLQANVZLL-UHFFFAOYSA-N
XLogP4.55
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N'-[4-(2-cyanophenoxy)-3-fluorophenyl]-N-(1H-indazol-5-yl)but-2-enediamide
CID 154860521
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
2-(1H-indazol-5-ylmethyl)benzonitrile
CID 71150352
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
2-(1-bromonaphthalen-2-yl)oxy-N-(1H-indazol-5-yl)acetamide
CID 55599649
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
CID 123915427
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
2-(1H-indazol-5-yl)acetic acid
CID 39103838

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide?
The IUPAC name of N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide (CID 166221555) is N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide?
The canonical SMILES for N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide is N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc3[nH]ncc3c2)cc1F.
What is the InChIKey of N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide?
The InChIKey is XORDEJLQANVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O2/c23-18-11-17(6-8-21(18)29-20-4-2-1-3-15(20)12-24)26-22(28)10-14-5-7-19-16(9-14)13-25-27-19/h1-9,11,13H,10H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide?
N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide has a molecular weight of 386.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 166221555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).