(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide

C11H11BrFN3O2 — CID 67508869

IUPAC(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide
SMILESCOC[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O
InChIInChI=1S/C11H11BrFN3O2/c1-18-5-10(11(15)17)16-9-3-7(12)6(4-14)2-8(9)13/h2-3,10,16H,5H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyOSLABEFLSOWMMR-SNVBAGLBSA-N
MW316.13 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide

(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide (PubChem CID 67508869) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide
PubChem CID67508869
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide
SMILESCOC[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O
InChIInChI=1S/C11H11BrFN3O2/c1-18-5-10(11(15)17)16-9-3-7(12)6(4-14)2-8(9)13/h2-3,10,16H,5H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyOSLABEFLSOWMMR-SNVBAGLBSA-N
XLogP1.37
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide?
The IUPAC name of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide (CID 67508869) is (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide?
The canonical SMILES for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide is COC[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O.
What is the InChIKey of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide?
The InChIKey is OSLABEFLSOWMMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c1-18-5-10(11(15)17)16-9-3-7(12)6(4-14)2-8(9)13/h2-3,10,16H,5H2,1H3,(H2,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide?
(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide has a molecular weight of 316.13 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide is sourced from PubChem (CID 67508869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).