N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

C28H24F3N5O2 — CID 24831767

IUPACN-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(C2(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)38-24-13-6-19(7-14-24)18-2-9-21(10-3-18)27(16-17-1-8-23(27)15-17)22-11-4-20(5-12-22)25(37)32-26-33-35-36-34-26/h2-7,9-14,17,23H,1,8,15-16H2,(H2,32,33,34,35,36,37)
InChIKeyRQFIHTVJGLJIEX-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.12
Rot. Bonds6

About N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 24831767) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID24831767
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC NameN-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(C2(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)38-24-13-6-19(7-14-24)18-2-9-21(10-3-18)27(16-17-1-8-23(27)15-17)22-11-4-20(5-12-22)25(37)32-26-33-35-36-34-26/h2-7,9-14,17,23H,1,8,15-16H2,(H2,32,33,34,35,36,37)
InChIKeyRQFIHTVJGLJIEX-UHFFFAOYSA-N
XLogP6.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]-N-(2H-tetrazol-5-yl)benzamide
CID 24831607
4-[[(4-tert-butylcyclohexyl)-[4-(trifluoromethoxy)benzoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 22502204
4-[1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-N-(2H-tetrazol-5-yl)benzamide
CID 10077369
4-[[5-(4-tert-butylcyclohexyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11757679
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
3-[[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]propanoic acid
CID 24829997
2-[[4-[(1S,2R,4R)-2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]-1,3-thiazole
CID 66864490
4-[[8-tert-butyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]dec-6-en-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 162599414
azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
CID 172692287
methyl 4-[2-[4-(2-pyridin-2-ylpropan-2-yloxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoate
CID 58095606
3-[[4-[2-[4-(4-fluoro-3-methylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]propanoic acid
CID 24830489
N-pyridin-3-yl-4-[(1S,2S,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864244

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (CID 24831767) is N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(Nc1nn[nH]n1)c1ccc(C2(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC3CCC2C3)cc1.
What is the InChIKey of N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is RQFIHTVJGLJIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c29-28(30,31)38-24-13-6-19(7-14-24)18-2-9-21(10-3-18)27(16-17-1-8-23(27)15-17)22-11-4-20(5-12-22)25(37)32-26-33-35-36-34-26/h2-7,9-14,17,23H,1,8,15-16H2,(H2,32,33,34,35,36,37).
What are the key properties of N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 519.53 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)-4-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 24831767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).