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

C14H9BrF3N5 — CID 138713713

IUPAC4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9BrF3N5/c15-9-3-6-12(11(7-9)13-20-22-23-21-13)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,19H,(H,20,21,22,23)
InChIKeyDLUWYDCFIFLJRF-UHFFFAOYSA-N
MW384.16 g/mol
LogP4.39
Rot. Bonds3

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

4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 138713713) 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-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID138713713
Molecular FormulaC14H9BrF3N5
Molecular Weight384.16 g/mol
Exact Mass383.00
IUPAC Name4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9BrF3N5/c15-9-3-6-12(11(7-9)13-20-22-23-21-13)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,19H,(H,20,21,22,23)
InChIKeyDLUWYDCFIFLJRF-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 138713713) is 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is DLUWYDCFIFLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N5/c15-9-3-6-12(11(7-9)13-20-22-23-21-13)19-10-4-1-8(2-5-10)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-[4-(trifluoromethyl)phenyl]aniline?
4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(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-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 138713713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).