2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide

C19H9Cl2F3N2O3 — CID 54576237

IUPAC2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H9Cl2F3N2O3/c20-13-5-10(22)2-3-11(13)18(27)26-17-4-1-9(8-25-17)12-6-15-16(7-14(12)21)29-19(23,24)28-15/h1-8H,(H,25,26,27)
InChIKeyYLFIQWYFRRKJBP-UHFFFAOYSA-N
MW441.19 g/mol
LogP5.77
Rot. Bonds3

About 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide

2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide (PubChem CID 54576237) has the molecular formula C19H9Cl2F3N2O3 and a molecular weight of 441.19 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide
PubChem CID54576237
Molecular FormulaC19H9Cl2F3N2O3
Molecular Weight441.19 g/mol
Exact Mass439.99
IUPAC Name2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H9Cl2F3N2O3/c20-13-5-10(22)2-3-11(13)18(27)26-17-4-1-9(8-25-17)12-6-15-16(7-14(12)21)29-19(23,24)28-15/h1-8H,(H,25,26,27)
InChIKeyYLFIQWYFRRKJBP-UHFFFAOYSA-N
XLogP5.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.19
LogP ≤ 55.77
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-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide (CID 54576237) is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is YLFIQWYFRRKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F3N2O3/c20-13-5-10(22)2-3-11(13)18(27)26-17-4-1-9(8-25-17)12-6-15-16(7-14(12)21)29-19(23,24)28-15/h1-8H,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide?
2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 441.19 g/mol, XLogP of 5.77, 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-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 54576237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).