methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate

C15H12F2N2O3 — CID 84598041

IUPACmethyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C15H12F2N2O3/c1-22-15(21)13(9-3-2-4-18-8-9)19-14(20)10-5-11(16)7-12(17)6-10/h2-8,13H,1H3,(H,19,20)
InChIKeyFTPGSAIDAAXRIG-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate

methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate (PubChem CID 84598041) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate
PubChem CID84598041
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Namemethyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C15H12F2N2O3/c1-22-15(21)13(9-3-2-4-18-8-9)19-14(20)10-5-11(16)7-12(17)6-10/h2-8,13H,1H3,(H,19,20)
InChIKeyFTPGSAIDAAXRIG-UHFFFAOYSA-N
XLogP2.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate (CID 84598041) is methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate is COC(=O)C(NC(=O)c1cc(F)cc(F)c1)c1cccnc1.
What is the InChIKey of methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate?
The InChIKey is FTPGSAIDAAXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-22-15(21)13(9-3-2-4-18-8-9)19-14(20)10-5-11(16)7-12(17)6-10/h2-8,13H,1H3,(H,19,20).
What are the key properties of methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate?
methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate has a molecular weight of 306.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-difluorobenzoyl)amino]-2-pyridin-3-ylacetate is sourced from PubChem (CID 84598041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).