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

C22H16F3N5O — CID 118737171

IUPACN-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H16F3N5O/c1-14-6-12-17(13-7-14)30-28-20(27-29-30)18-4-2-3-5-19(18)26-21(31)15-8-10-16(11-9-15)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyMRPIPWQQHPAIGR-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.91
Rot. Bonds4

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

N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 118737171) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID118737171
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H16F3N5O/c1-14-6-12-17(13-7-14)30-28-20(27-29-30)18-4-2-3-5-19(18)26-21(31)15-8-10-16(11-9-15)22(23,24)25/h2-13H,1H3,(H,26,31)
InChIKeyMRPIPWQQHPAIGR-UHFFFAOYSA-N
XLogP4.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Andolast
CID 65970
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1452544
4-nitro-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737162
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 118737164
3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129908
2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134129976
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
4-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130497
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
CID 134131281
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
CID 134131521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 118737171) is N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MRPIPWQQHPAIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-14-6-12-17(13-7-14)30-28-20(27-29-30)18-4-2-3-5-19(18)26-21(31)15-8-10-16(11-9-15)22(23,24)25/h2-13H,1H3,(H,26,31).
What are the key properties of N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 423.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118737171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).