2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide

C14H10F3N3O2 — CID 66610694

IUPAC2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(F)(F)c1ccc(F)cn1
InChIInChI=1S/C14H10F3N3O2/c15-8-5-6-11(19-7-8)14(16,17)13(22)20-10-4-2-1-3-9(10)12(18)21/h1-7H,(H2,18,21)(H,20,22)
InChIKeyVONKHBYOPOHWJV-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.05
Rot. Bonds4

About 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide

2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide (PubChem CID 66610694) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide
PubChem CID66610694
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(F)(F)c1ccc(F)cn1
InChIInChI=1S/C14H10F3N3O2/c15-8-5-6-11(19-7-8)14(16,17)13(22)20-10-4-2-1-3-9(10)12(18)21/h1-7H,(H2,18,21)(H,20,22)
InChIKeyVONKHBYOPOHWJV-UHFFFAOYSA-N
XLogP2.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103891694
2-[(4-fluorophenyl)carbamothioylamino]benzamide
CID 969266
N-(2-carbamoylphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108529490
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
CID 115938831
2-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzenecarbothioamide
CID 82817488
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
CID 108902156

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide (CID 66610694) is 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)C(F)(F)c1ccc(F)cn1.
What is the InChIKey of 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide?
The InChIKey is VONKHBYOPOHWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-8-5-6-11(19-7-8)14(16,17)13(22)20-10-4-2-1-3-9(10)12(18)21/h1-7H,(H2,18,21)(H,20,22).
What are the key properties of 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide?
2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide has a molecular weight of 309.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide is sourced from PubChem (CID 66610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).