5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide

C11H10BrFN2O — CID 55135191

IUPAC5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16)
InChIKeyDJUJRFWIJOSZNQ-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.62
Rot. Bonds3

About 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide

5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide (PubChem CID 55135191) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
PubChem CID55135191
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16)
InChIKeyDJUJRFWIJOSZNQ-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide (CID 55135191) is 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide is CC(CC#N)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
The InChIKey is DJUJRFWIJOSZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7(4-5-14)15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide?
5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide has a molecular weight of 285.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 55135191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).