N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide

C16H13BrFN5O — CID 9421150

IUPACN-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H13BrFN5O/c1-10-2-4-11(5-3-10)16-20-21-22-23(16)9-15(24)19-14-7-6-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOMKLNKSOILPVLP-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.19
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide (PubChem CID 9421150) has the molecular formula C16H13BrFN5O and a molecular weight of 390.22 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
PubChem CID9421150
Molecular FormulaC16H13BrFN5O
Molecular Weight390.22 g/mol
Exact Mass389.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H13BrFN5O/c1-10-2-4-11(5-3-10)16-20-21-22-23(16)9-15(24)19-14-7-6-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOMKLNKSOILPVLP-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2197190
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523312
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335329
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,4-difluorophenyl)-5-methyltriazole-4-carboxamide
CID 53335365
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529862
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide (CID 9421150) is N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide is Cc1ccc(-c2nnnn2CC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide?
The InChIKey is OMKLNKSOILPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN5O/c1-10-2-4-11(5-3-10)16-20-21-22-23(16)9-15(24)19-14-7-6-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide has a molecular weight of 390.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 9421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).