2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide

C19H11ClF2N2O3 — CID 58487210

IUPAC2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1Cl
InChIInChI=1S/C19H11ClF2N2O3/c20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15/h1-10H,(H,23,24,25)
InChIKeyLQDMVVAPVKKAJF-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.98
Rot. Bonds3

About 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide

2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide (PubChem CID 58487210) has the molecular formula C19H11ClF2N2O3 and a molecular weight of 388.76 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide
PubChem CID58487210
Molecular FormulaC19H11ClF2N2O3
Molecular Weight388.76 g/mol
Exact Mass388.04
IUPAC Name2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1Cl
InChIInChI=1S/C19H11ClF2N2O3/c20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15/h1-10H,(H,23,24,25)
InChIKeyLQDMVVAPVKKAJF-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide (CID 58487210) is 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide?
The InChIKey is LQDMVVAPVKKAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O3/c20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15/h1-10H,(H,23,24,25).
What are the key properties of 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide has a molecular weight of 388.76 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).