3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide

C12H13BrFN5O — CID 138027219

IUPAC3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide
SMILESCc1c(Br)ccc(F)c1C(=O)NC(C)c1nnnn1C
InChIInChI=1S/C12H13BrFN5O/c1-6-8(13)4-5-9(14)10(6)12(20)15-7(2)11-16-17-18-19(11)3/h4-5,7H,1-3H3,(H,15,20)
InChIKeyVERFXKVSBOLPED-UHFFFAOYSA-N
MW342.17 g/mol
LogP1.91
Rot. Bonds3

About 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide

3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide (PubChem CID 138027219) has the molecular formula C12H13BrFN5O and a molecular weight of 342.17 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide
PubChem CID138027219
Molecular FormulaC12H13BrFN5O
Molecular Weight342.17 g/mol
Exact Mass341.03
IUPAC Name3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide
SMILESCc1c(Br)ccc(F)c1C(=O)NC(C)c1nnnn1C
InChIInChI=1S/C12H13BrFN5O/c1-6-8(13)4-5-9(14)10(6)12(20)15-7(2)11-16-17-18-19(11)3/h4-5,7H,1-3H3,(H,15,20)
InChIKeyVERFXKVSBOLPED-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide (CID 138027219) is 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide is Cc1c(Br)ccc(F)c1C(=O)NC(C)c1nnnn1C.
What is the InChIKey of 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The InChIKey is VERFXKVSBOLPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5O/c1-6-8(13)4-5-9(14)10(6)12(20)15-7(2)11-16-17-18-19(11)3/h4-5,7H,1-3H3,(H,15,20).
What are the key properties of 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide?
3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide has a molecular weight of 342.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 138027219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).