N-fluoro-3-(2H-tetrazol-5-yl)benzamide

C8H6FN5O — CID 123791162

IUPACN-fluoro-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NF)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H6FN5O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,11,12,13,14)
InChIKeyBUDASNLAZSRTPQ-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.48
Rot. Bonds2

About N-fluoro-3-(2H-tetrazol-5-yl)benzamide

N-fluoro-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 123791162) has the molecular formula C8H6FN5O and a molecular weight of 207.17 g/mol. Its IUPAC name is N-fluoro-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-fluoro-3-(2H-tetrazol-5-yl)benzamide
PubChem CID123791162
Molecular FormulaC8H6FN5O
Molecular Weight207.17 g/mol
Exact Mass207.06
IUPAC NameN-fluoro-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NF)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H6FN5O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,11,12,13,14)
InChIKeyBUDASNLAZSRTPQ-UHFFFAOYSA-N
XLogP0.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-fluoro-3-(2H-tetrazol-5-yl)benzamide (CID 123791162) is N-fluoro-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-fluoro-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-fluoro-3-(2H-tetrazol-5-yl)benzamide is O=C(NF)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-fluoro-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is BUDASNLAZSRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,11,12,13,14).
What are the key properties of N-fluoro-3-(2H-tetrazol-5-yl)benzamide?
N-fluoro-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 207.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 123791162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).