3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide

C12H13BrFNO — CID 106544366

IUPAC3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyRMWQDJPJOMJMTQ-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.12
Rot. Bonds3

About 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide

3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide (PubChem CID 106544366) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
PubChem CID106544366
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyRMWQDJPJOMJMTQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
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3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
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(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
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3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
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N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
3-bromo-N-(2-chloro-2-cyclopropylethyl)-2-fluorobenzamide
CID 107956692
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
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2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide (CID 106544366) is 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide is CC(NC(=O)c1cccc(Br)c1F)C1CC1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide?
The InChIKey is RMWQDJPJOMJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide?
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide has a molecular weight of 286.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide is sourced from PubChem (CID 106544366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).