N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C15H11BrFN5O — CID 579002

IUPACN-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN5O/c16-10-5-7-11(8-6-10)18-14(23)9-22-20-15(19-21-22)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,23)
InChIKeyGWRRONDXVZCCPK-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.88
Rot. Bonds4

About N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 579002) has the molecular formula C15H11BrFN5O and a molecular weight of 376.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID579002
Molecular FormulaC15H11BrFN5O
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC NameN-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN5O/c16-10-5-7-11(8-6-10)18-14(23)9-22-20-15(19-21-22)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,23)
InChIKeyGWRRONDXVZCCPK-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7278076
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7634191
N-(2-Fluoro-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 579008
Acetamide, N-(4-bromophenyl)-2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-
CID 596748
N-(4-fluorophenyl)-2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamide
CID 709177
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050
2-(5-(2-((4-bromophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethan-1-ol
CID 135371606
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 707594
N-(2-fluorophenyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 777332
N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]acetamide
CID 893453
2-[5-(4-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-iodophenyl)acetamide
CID 1361080
N-(4-butan-2-ylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 2904020

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 579002) is N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is GWRRONDXVZCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5O/c16-10-5-7-11(8-6-10)18-14(23)9-22-20-15(19-21-22)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,23).
What are the key properties of N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 376.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 579002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).