N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide

C23H24F3N3O3 — CID 77353654

IUPACN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30)
InChIKeyVVLMKLWEKZNRDF-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.74
Rot. Bonds8

About N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide

N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide (PubChem CID 77353654) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
PubChem CID77353654
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30)
InChIKeyVVLMKLWEKZNRDF-UHFFFAOYSA-N
XLogP4.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide (CID 77353654) is N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide is CC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The InChIKey is VVLMKLWEKZNRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 77353654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).