3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

C17H14FN5O — CID 126513271

IUPAC3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1C[C@H](c2nn[nH]n2)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1
InChIKeyAVOXPOBGAAXINB-LSDHHAIUSA-N
MW323.33 g/mol
LogP2.35
Rot. Bonds3

About 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 126513271) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID126513271
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1C[C@H](c2nn[nH]n2)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1
InChIKeyAVOXPOBGAAXINB-LSDHHAIUSA-N
XLogP2.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 126513271) is 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@@H]1C[C@H](c2nn[nH]n2)c2ccccc21)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is AVOXPOBGAAXINB-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1.
What are the key properties of 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 323.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R,3S)-3-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 126513271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).