3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

C13H12BrFN2OS — CID 103707532

IUPAC3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(Br)c1)c1nccs1
InChIInChI=1S/C13H12BrFN2OS/c1-13(2,12-16-5-6-19-12)17-11(18)8-3-4-10(15)9(14)7-8/h3-7H,1-2H3,(H,17,18)
InChIKeyFONPPSNNYJWWTE-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.71
Rot. Bonds3

About 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 103707532) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID103707532
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(Br)c1)c1nccs1
InChIInChI=1S/C13H12BrFN2OS/c1-13(2,12-16-5-6-19-12)17-11(18)8-3-4-10(15)9(14)7-8/h3-7H,1-2H3,(H,17,18)
InChIKeyFONPPSNNYJWWTE-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 103707532) is 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1ccc(F)c(Br)c1)c1nccs1.
What is the InChIKey of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is FONPPSNNYJWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c1-13(2,12-16-5-6-19-12)17-11(18)8-3-4-10(15)9(14)7-8/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 343.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 103707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).