N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C16H12Br2FN5O — CID 16517367

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(Br)c1
InChIInChI=1S/C16H12Br2FN5O/c1-9-6-12(17)15(13(18)7-9)20-14(25)8-24-22-16(21-23-24)10-2-4-11(19)5-3-10/h2-7H,8H2,1H3,(H,20,25)
InChIKeyVDKNQRQDIWENQF-UHFFFAOYSA-N
MW469.11 g/mol
LogP3.95
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 16517367) has the molecular formula C16H12Br2FN5O and a molecular weight of 469.11 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID16517367
Molecular FormulaC16H12Br2FN5O
Molecular Weight469.11 g/mol
Exact Mass466.94
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(Br)c1
InChIInChI=1S/C16H12Br2FN5O/c1-9-6-12(17)15(13(18)7-9)20-14(25)8-24-22-16(21-23-24)10-2-4-11(19)5-3-10/h2-7H,8H2,1H3,(H,20,25)
InChIKeyVDKNQRQDIWENQF-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7993306
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465847
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 16517367) is N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cc1cc(Br)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is VDKNQRQDIWENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2FN5O/c1-9-6-12(17)15(13(18)7-9)20-14(25)8-24-22-16(21-23-24)10-2-4-11(19)5-3-10/h2-7H,8H2,1H3,(H,20,25).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 469.11 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 16517367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).