2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide

C15H12F2N2O2 — CID 141412363

IUPAC2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide
SMILESCN(C(=O)c1cccc(F)c1)c1cccc(C(N)=O)c1F
InChIInChI=1S/C15H12F2N2O2/c1-19(15(21)9-4-2-5-10(16)8-9)12-7-3-6-11(13(12)17)14(18)20/h2-8H,1H3,(H2,18,20)
InChIKeyWHLGMGPLYHOFQO-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide

2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide (PubChem CID 141412363) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide
PubChem CID141412363
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide
SMILESCN(C(=O)c1cccc(F)c1)c1cccc(C(N)=O)c1F
InChIInChI=1S/C15H12F2N2O2/c1-19(15(21)9-4-2-5-10(16)8-9)12-7-3-6-11(13(12)17)14(18)20/h2-8H,1H3,(H2,18,20)
InChIKeyWHLGMGPLYHOFQO-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide?
The IUPAC name of 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide (CID 141412363) is 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide.
What is the SMILES notation for 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide?
The canonical SMILES for 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide is CN(C(=O)c1cccc(F)c1)c1cccc(C(N)=O)c1F.
What is the InChIKey of 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide?
The InChIKey is WHLGMGPLYHOFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-19(15(21)9-4-2-5-10(16)8-9)12-7-3-6-11(13(12)17)14(18)20/h2-8H,1H3,(H2,18,20).
What are the key properties of 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide?
2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide has a molecular weight of 290.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide is sourced from PubChem (CID 141412363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).