2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide

C16H13F2N5O2 — CID 22481649

IUPAC2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
SMILESCC(Oc1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H13F2N5O2/c1-8(16-20-22-23-21-16)25-10-3-5-11(14(18)7-10)9-2-4-12(15(19)24)13(17)6-9/h2-8H,1H3,(H2,19,24)(H,20,21,22,23)
InChIKeySISKMIKQLDBSEV-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.38
Rot. Bonds5

About 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide

2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide (PubChem CID 22481649) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
PubChem CID22481649
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
SMILESCC(Oc1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H13F2N5O2/c1-8(16-20-22-23-21-16)25-10-3-5-11(14(18)7-10)9-2-4-12(15(19)24)13(17)6-9/h2-8H,1H3,(H2,19,24)(H,20,21,22,23)
InChIKeySISKMIKQLDBSEV-UHFFFAOYSA-N
XLogP2.38
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The IUPAC name of 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide (CID 22481649) is 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide is CC(Oc1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1)c1nn[nH]n1.
What is the InChIKey of 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The InChIKey is SISKMIKQLDBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-8(16-20-22-23-21-16)25-10-3-5-11(14(18)7-10)9-2-4-12(15(19)24)13(17)6-9/h2-8H,1H3,(H2,19,24)(H,20,21,22,23).
What are the key properties of 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide has a molecular weight of 345.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide is sourced from PubChem (CID 22481649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).