methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate

C11H11BrFNO3 — CID 60675698

IUPACmethyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15)
InChIKeyPSPGRLXYDNNZBF-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate

methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate (PubChem CID 60675698) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate
PubChem CID60675698
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Namemethyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15)
InChIKeyPSPGRLXYDNNZBF-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate (CID 60675698) is methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate?
The InChIKey is PSPGRLXYDNNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate?
methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate has a molecular weight of 304.12 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-2-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 60675698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).