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

C16H13BrFN5O — CID 8598108

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C16H13BrFN5O/c17-13-7-5-11(6-8-13)16-20-22-23(21-16)10-15(24)19-9-12-3-1-2-4-14(12)18/h1-8H,9-10H2,(H,19,24)
InChIKeyXFYQYNMUYOYJBW-UHFFFAOYSA-N
MW390.22 g/mol
LogP2.56
Rot. Bonds5

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

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 8598108) has the molecular formula C16H13BrFN5O and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID8598108
Molecular FormulaC16H13BrFN5O
Molecular Weight390.22 g/mol
Exact Mass389.03
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C16H13BrFN5O/c17-13-7-5-11(6-8-13)16-20-22-23(21-16)10-15(24)19-9-12-3-1-2-4-14(12)18/h1-8H,9-10H2,(H,19,24)
InChIKeyXFYQYNMUYOYJBW-UHFFFAOYSA-N
XLogP2.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 8598108) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is XFYQYNMUYOYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN5O/c17-13-7-5-11(6-8-13)16-20-22-23(21-16)10-15(24)19-9-12-3-1-2-4-14(12)18/h1-8H,9-10H2,(H,19,24).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 390.22 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8598108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).