4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H10FN5O — CID 7988227

IUPAC4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyCVRQAUSRDUHETP-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7988227) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7988227
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyCVRQAUSRDUHETP-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7988227) is 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is CVRQAUSRDUHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 283.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7988227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).