2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide

C19H13F2N3OS — CID 122584366

IUPAC2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccs2)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3OS/c20-12-7-8-14(16(21)10-12)19(25)22-18-15-5-1-2-6-17(15)24(23-18)11-13-4-3-9-26-13/h1-10H,11H2,(H,22,23,25)
InChIKeyNVFPYOCEHRFJKI-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.68
Rot. Bonds4

About 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide

2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide (PubChem CID 122584366) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide
PubChem CID122584366
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccs2)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3OS/c20-12-7-8-14(16(21)10-12)19(25)22-18-15-5-1-2-6-17(15)24(23-18)11-13-4-3-9-26-13/h1-10H,11H2,(H,22,23,25)
InChIKeyNVFPYOCEHRFJKI-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide (CID 122584366) is 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide is O=C(Nc1nn(Cc2cccs2)c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide?
The InChIKey is NVFPYOCEHRFJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c20-12-7-8-14(16(21)10-12)19(25)22-18-15-5-1-2-6-17(15)24(23-18)11-13-4-3-9-26-13/h1-10H,11H2,(H,22,23,25).
What are the key properties of 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide?
2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(thiophen-2-ylmethyl)indazol-3-yl]benzamide is sourced from PubChem (CID 122584366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).