5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide

C13H16FN5O2 — CID 29131110

IUPAC5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C13H16FN5O2/c1-8(2)11(6-20)16-13(21)10-5-9(14)3-4-12(10)19-7-15-17-18-19/h3-5,7-8,11,20H,6H2,1-2H3,(H,16,21)/t11-/m1/s1
InChIKeyBQEODCCNKPTFOK-LLVKDONJSA-N
MW293.30 g/mol
LogP0.55
Rot. Bonds5

About 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 29131110) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID29131110
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C13H16FN5O2/c1-8(2)11(6-20)16-13(21)10-5-9(14)3-4-12(10)19-7-15-17-18-19/h3-5,7-8,11,20H,6H2,1-2H3,(H,16,21)/t11-/m1/s1
InChIKeyBQEODCCNKPTFOK-LLVKDONJSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide (CID 29131110) is 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide is CC(C)[C@@H](CO)NC(=O)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is BQEODCCNKPTFOK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-8(2)11(6-20)16-13(21)10-5-9(14)3-4-12(10)19-7-15-17-18-19/h3-5,7-8,11,20H,6H2,1-2H3,(H,16,21)/t11-/m1/s1.
What are the key properties of 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 293.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29131110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).