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

C11H11BrFN5O — CID 154783159

IUPAC3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide
SMILESCc1c(Br)ccc(F)c1C(=O)NCCn1cnnn1
InChIInChI=1S/C11H11BrFN5O/c1-7-8(12)2-3-9(13)10(7)11(19)14-4-5-18-6-15-16-17-18/h2-3,6H,4-5H2,1H3,(H,14,19)
InChIKeyRPTHIXWLXLMEKX-UHFFFAOYSA-N
MW328.15 g/mol
LogP1.31
Rot. Bonds4

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

3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide (PubChem CID 154783159) has the molecular formula C11H11BrFN5O and a molecular weight of 328.15 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide
PubChem CID154783159
Molecular FormulaC11H11BrFN5O
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide
SMILESCc1c(Br)ccc(F)c1C(=O)NCCn1cnnn1
InChIInChI=1S/C11H11BrFN5O/c1-7-8(12)2-3-9(13)10(7)11(19)14-4-5-18-6-15-16-17-18/h2-3,6H,4-5H2,1H3,(H,14,19)
InChIKeyRPTHIXWLXLMEKX-UHFFFAOYSA-N
XLogP1.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromo-6-fluoro-2-methylbenzoyl)amino]hexanoic acid
CID 166277024
1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 118790638
5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 72615520
3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 110204357
3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 103707551
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-bromo-6-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 115678631
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide (CID 154783159) is 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide is Cc1c(Br)ccc(F)c1C(=O)NCCn1cnnn1.
What is the InChIKey of 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide?
The InChIKey is RPTHIXWLXLMEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5O/c1-7-8(12)2-3-9(13)10(7)11(19)14-4-5-18-6-15-16-17-18/h2-3,6H,4-5H2,1H3,(H,14,19).
What are the key properties of 3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide?
3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide has a molecular weight of 328.15 g/mol, XLogP of 1.31, 4 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-[2-(tetrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 154783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).