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

C22H16F3N5O2 — CID 118737179

IUPAC4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H16F3N5O2/c1-32-17-12-6-14(7-13-17)21(31)26-19-5-3-2-4-18(19)20-27-29-30(28-20)16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyCPVIOZQBGVKYLK-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.61
Rot. Bonds5

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

4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737179) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID118737179
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H16F3N5O2/c1-32-17-12-6-14(7-13-17)21(31)26-19-5-3-2-4-18(19)20-27-29-30(28-20)16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyCPVIOZQBGVKYLK-UHFFFAOYSA-N
XLogP4.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (CID 118737179) is 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is CPVIOZQBGVKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-32-17-12-6-14(7-13-17)21(31)26-19-5-3-2-4-18(19)20-27-29-30(28-20)16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,31).
What are the key properties of 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 439.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).