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

C14H10FN5O — CID 7693347

IUPAC3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyZZFWVPDTSVVJSI-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

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

3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7693347) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7693347
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyZZFWVPDTSVVJSI-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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Related Compounds

N-(4-bromophenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 862152
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-(phenylcarbonylamino)(3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 866071
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
5-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 9508973
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7693347) is 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is ZZFWVPDTSVVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
3-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 3-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7693347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).