N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide

C14H9F2N5O — CID 18170495

IUPACN-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H9F2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyWGAYWNGSBRWDDX-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.19
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide

N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 18170495) has the molecular formula C14H9F2N5O and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID18170495
Molecular FormulaC14H9F2N5O
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC NameN-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H9F2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyWGAYWNGSBRWDDX-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide (CID 18170495) is N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is WGAYWNGSBRWDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide?
N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 301.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 18170495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).