3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide

C11H13BrFNO — CID 106544486

IUPAC3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO/c1-7(2)14(3)11(15)8-5-4-6-9(12)10(8)13/h4-7H,1-3H3
InChIKeyFUYQHOXKJJVRET-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.07
Rot. Bonds2

About 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide

3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 106544486) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
PubChem CID106544486
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO/c1-7(2)14(3)11(15)8-5-4-6-9(12)10(8)13/h4-7H,1-3H3
InChIKeyFUYQHOXKJJVRET-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59375042
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3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
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2-amino-N-methyl-N-propan-2-ylbenzamide
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3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
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3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide (CID 106544486) is 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is FUYQHOXKJJVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-7(2)14(3)11(15)8-5-4-6-9(12)10(8)13/h4-7H,1-3H3.
What are the key properties of 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide?
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 274.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 106544486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).