3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide

C23H18F3N5O3 — CID 118737176

IUPAC3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1OC
InChIInChI=1S/C23H18F3N5O3/c1-33-19-12-7-14(13-20(19)34-2)22(32)27-18-6-4-3-5-17(18)21-28-30-31(29-21)16-10-8-15(9-11-16)23(24,25)26/h3-13H,1-2H3,(H,27,32)
InChIKeyQIPCLAXOMKMKES-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.62
Rot. Bonds6

About 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide

3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737176) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID118737176
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1OC
InChIInChI=1S/C23H18F3N5O3/c1-33-19-12-7-14(13-20(19)34-2)22(32)27-18-6-4-3-5-17(18)21-28-30-31(29-21)16-10-8-15(9-11-16)23(24,25)26/h3-13H,1-2H3,(H,27,32)
InChIKeyQIPCLAXOMKMKES-UHFFFAOYSA-N
XLogP4.62
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide (CID 118737176) is 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is QIPCLAXOMKMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c1-33-19-12-7-14(13-20(19)34-2)22(32)27-18-6-4-3-5-17(18)21-28-30-31(29-21)16-10-8-15(9-11-16)23(24,25)26/h3-13H,1-2H3,(H,27,32).
What are the key properties of 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide?
3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 469.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).