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

C14H10FN5O — CID 6470990

IUPAC3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyGAKOBKPDJJGRIL-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.26
Rot. Bonds3

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

3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 6470990) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID6470990
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyGAKOBKPDJJGRIL-UHFFFAOYSA-N
XLogP2.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Andolast
CID 65970
N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
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3-Amino-N-[3-(1H-tetrazol-5-yl)-phenyl]-5-trifluoromethyl-benzamide
CID 70688017
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-[(Dimethylamino)methyl]-N-[3-(1h-Tetrazol-5-Yl)phenyl]benzamide
CID 56851707
2-Fluoro-N-{3-[2-(isopropylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-benzamide
CID 646056
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-2,4-difluorobenzamide
CID 145951566
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 145952453

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 6470990) is 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is GAKOBKPDJJGRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20).
What are the key properties of 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 283.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 6470990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).