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

C22H16F3N5O2 — CID 118737173

IUPACN-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-n1nnc(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H16F3N5O2/c1-32-19-9-5-4-8-18(19)30-28-20(27-29-30)16-6-2-3-7-17(16)26-21(31)14-10-12-15(13-11-14)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyWSVVREJKHFUOCD-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.61
Rot. Bonds5

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

N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 118737173) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID118737173
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC NameN-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-n1nnc(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H16F3N5O2/c1-32-19-9-5-4-8-18(19)30-28-20(27-29-30)16-6-2-3-7-17(16)26-21(31)14-10-12-15(13-11-14)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyWSVVREJKHFUOCD-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 N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 118737173) is N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is COc1ccccc1-n1nnc(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WSVVREJKHFUOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-32-19-9-5-4-8-18(19)30-28-20(27-29-30)16-6-2-3-7-17(16)26-21(31)14-10-12-15(13-11-14)22(23,24)25/h2-13H,1H3,(H,26,31).
What are the key properties of N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)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 N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118737173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).