N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

C15H11BrFN5O — CID 7491173

IUPACN-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN5O/c16-11-4-6-13(7-5-11)18-14(23)9-22-20-15(19-21-22)10-2-1-3-12(17)8-10/h1-8H,9H2,(H,18,23)
InChIKeyFNDFXNINRJIQNZ-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.88
Rot. Bonds4

About N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7491173) has the molecular formula C15H11BrFN5O and a molecular weight of 376.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7491173
Molecular FormulaC15H11BrFN5O
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC NameN-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN5O/c16-11-4-6-13(7-5-11)18-14(23)9-22-20-15(19-21-22)10-2-1-3-12(17)8-10/h1-8H,9H2,(H,18,23)
InChIKeyFNDFXNINRJIQNZ-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

4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7589299
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (CID 7491173) is N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is FNDFXNINRJIQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5O/c16-11-4-6-13(7-5-11)18-14(23)9-22-20-15(19-21-22)10-2-1-3-12(17)8-10/h1-8H,9H2,(H,18,23).
What are the key properties of N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
N-(4-bromophenyl)-2-[5-(3-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-(3-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7491173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).