3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

C14H11F2N3O3 — CID 60550646

IUPAC3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ncccc1O
InChIInChI=1S/C14H11F2N3O3/c15-9-4-3-8(6-10(9)16)14(22)18-7-12(21)19-13-11(20)2-1-5-17-13/h1-6,20H,7H2,(H,18,22)(H,17,19,21)
InChIKeyXAOOPFKXLMEFBO-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.43
Rot. Bonds4

About 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 60550646) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID60550646
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC Name3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ncccc1O
InChIInChI=1S/C14H11F2N3O3/c15-9-4-3-8(6-10(9)16)14(22)18-7-12(21)19-13-11(20)2-1-5-17-13/h1-6,20H,7H2,(H,18,22)(H,17,19,21)
InChIKeyXAOOPFKXLMEFBO-UHFFFAOYSA-N
XLogP1.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 60550646) is 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ncccc1O.
What is the InChIKey of 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is XAOOPFKXLMEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-9-4-3-8(6-10(9)16)14(22)18-7-12(21)19-13-11(20)2-1-5-17-13/h1-6,20H,7H2,(H,18,22)(H,17,19,21).
What are the key properties of 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 307.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 60550646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).