4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide

C17H16FN5O2 — CID 29128173

IUPAC4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C17H16FN5O2/c18-13-6-7-15(16(9-13)23-11-19-21-22-23)17(25)20-14(10-24)8-12-4-2-1-3-5-12/h1-7,9,11,14,24H,8,10H2,(H,20,25)/t14-/m0/s1
InChIKeyZZUSRAIWJLJOTL-AWEZNQCLSA-N
MW341.35 g/mol
LogP1.13
Rot. Bonds6

About 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide

4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 29128173) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID29128173
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C17H16FN5O2/c18-13-6-7-15(16(9-13)23-11-19-21-22-23)17(25)20-14(10-24)8-12-4-2-1-3-5-12/h1-7,9,11,14,24H,8,10H2,(H,20,25)/t14-/m0/s1
InChIKeyZZUSRAIWJLJOTL-AWEZNQCLSA-N
XLogP1.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide (CID 29128173) is 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-n1cnnn1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZZUSRAIWJLJOTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-13-6-7-15(16(9-13)23-11-19-21-22-23)17(25)20-14(10-24)8-12-4-2-1-3-5-12/h1-7,9,11,14,24H,8,10H2,(H,20,25)/t14-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide?
4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 341.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).