4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline

C14H9BrF3N5 — CID 155342906

IUPAC4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1cccc(Nc2ccc(Br)cc2-c2nn[nH]n2)c1
InChIInChI=1S/C14H9BrF3N5/c15-9-4-5-12(11(7-9)13-20-22-23-21-13)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,19H,(H,20,21,22,23)
InChIKeyVOXZPBASFQVXLX-UHFFFAOYSA-N
MW384.16 g/mol
LogP4.39
Rot. Bonds3

About 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline

4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 155342906) has the molecular formula C14H9BrF3N5 and a molecular weight of 384.16 g/mol. Its IUPAC name is 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID155342906
Molecular FormulaC14H9BrF3N5
Molecular Weight384.16 g/mol
Exact Mass383.00
IUPAC Name4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1cccc(Nc2ccc(Br)cc2-c2nn[nH]n2)c1
InChIInChI=1S/C14H9BrF3N5/c15-9-4-5-12(11(7-9)13-20-22-23-21-13)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,19H,(H,20,21,22,23)
InChIKeyVOXZPBASFQVXLX-UHFFFAOYSA-N
XLogP4.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.16
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-tetrazol-5-yl)-N-(3-(trifluoromethyl)phenyl)aniline
CID 202904
NS 11021
CID 24825677
NS-3623
CID 9954236
Endovion
CID 10005966
4-bromo-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 10868388
NS5806
CID 11642685
2-[5-[5-Bromo-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372478
TAS2R14 agonist-1
CID 168355623
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1-sulfanylurea
CID 87441970
N-[3,5-bis(trifluoromethyl)-phenyl]-N-[4-bromo-2-(1h-tetrazol-5-yl)-phenyl] urea
CID 129852146
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2-methyl-2h-tetrazol-5-yl)phenyl)thiourea
CID 129847630
1-(3-bromophenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea
CID 10274819

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline (CID 155342906) is 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1cccc(Nc2ccc(Br)cc2-c2nn[nH]n2)c1.
What is the InChIKey of 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is VOXZPBASFQVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N5/c15-9-4-5-12(11(7-9)13-20-22-23-21-13)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,19H,(H,20,21,22,23).
What are the key properties of 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 384.16 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 155342906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).