4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide

C22H13F6N5O — CID 118737170

IUPAC4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H13F6N5O/c23-21(24,25)14-7-5-13(6-8-14)20(34)29-18-4-2-1-3-17(18)19-30-32-33(31-19)16-11-9-15(10-12-16)22(26,27)28/h1-12H,(H,29,34)
InChIKeyPBMFMQPYVIMNCE-UHFFFAOYSA-N
MW477.37 g/mol
LogP5.62
Rot. Bonds4

About 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide

4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737170) has the molecular formula C22H13F6N5O and a molecular weight of 477.37 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID118737170
Molecular FormulaC22H13F6N5O
Molecular Weight477.37 g/mol
Exact Mass477.10
IUPAC Name4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H13F6N5O/c23-21(24,25)14-7-5-13(6-8-14)20(34)29-18-4-2-1-3-17(18)19-30-32-33(31-19)16-11-9-15(10-12-16)22(26,27)28/h1-12H,(H,29,34)
InChIKeyPBMFMQPYVIMNCE-UHFFFAOYSA-N
XLogP5.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (CID 118737170) is 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nnn(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is PBMFMQPYVIMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F6N5O/c23-21(24,25)14-7-5-13(6-8-14)20(34)29-18-4-2-1-3-17(18)19-30-32-33(31-19)16-11-9-15(10-12-16)22(26,27)28/h1-12H,(H,29,34).
What are the key properties of 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 477.37 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).