2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide

C14H7BrF3N5O — CID 71791714

IUPAC2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H7BrF3N5O/c15-7-1-3-8(4-2-7)23-21-13(20-22-23)14(24)19-10-6-5-9(16)11(17)12(10)18/h1-6H,(H,19,24)
InChIKeySJBYZINLKRREEZ-UHFFFAOYSA-N
MW398.14 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide

2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide (PubChem CID 71791714) has the molecular formula C14H7BrF3N5O and a molecular weight of 398.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide
PubChem CID71791714
Molecular FormulaC14H7BrF3N5O
Molecular Weight398.14 g/mol
Exact Mass396.98
IUPAC Name2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H7BrF3N5O/c15-7-1-3-8(4-2-7)23-21-13(20-22-23)14(24)19-10-6-5-9(16)11(17)12(10)18/h1-6H,(H,19,24)
InChIKeySJBYZINLKRREEZ-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)tetrazole-5-carboxamide
CID 71791716
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
4,6-dimethyl-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 110865190
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579000
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
3-tert-butyl-1-methyl-N-(2,3,4-trifluorophenyl)pyrazole-5-carboxamide
CID 87023647
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
2-bromo-5-sulfanyl-N-(2,3,4-trifluorophenyl)benzamide
CID 107020290
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide (CID 71791714) is 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1nnn(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide?
The InChIKey is SJBYZINLKRREEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF3N5O/c15-7-1-3-8(4-2-7)23-21-13(20-22-23)14(24)19-10-6-5-9(16)11(17)12(10)18/h1-6H,(H,19,24).
What are the key properties of 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide?
2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide has a molecular weight of 398.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).