N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

C16H8F5N3O2 — CID 86647613

IUPACN-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1cc(F)cc(F)c1)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C16H8F5N3O2/c17-9-3-8(4-10(18)6-9)13(25)7-1-2-12-11(5-7)14(24-23-12)22-15(26)16(19,20)21/h1-6H,(H2,22,23,24,26)
InChIKeyFWVVISZYLFGQPW-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.57
Rot. Bonds3

About N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 86647613) has the molecular formula C16H8F5N3O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID86647613
Molecular FormulaC16H8F5N3O2
Molecular Weight369.25 g/mol
Exact Mass369.05
IUPAC NameN-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1cc(F)cc(F)c1)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C16H8F5N3O2/c17-9-3-8(4-10(18)6-9)13(25)7-1-2-12-11(5-7)14(24-23-12)22-15(26)16(19,20)21/h1-6H,(H2,22,23,24,26)
InChIKeyFWVVISZYLFGQPW-UHFFFAOYSA-N
XLogP3.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (CID 86647613) is N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is O=C(c1cc(F)cc(F)c1)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1.
What is the InChIKey of N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is FWVVISZYLFGQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5N3O2/c17-9-3-8(4-10(18)6-9)13(25)7-1-2-12-11(5-7)14(24-23-12)22-15(26)16(19,20)21/h1-6H,(H2,22,23,24,26).
What are the key properties of N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 369.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorobenzoyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86647613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).