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

C19H11ClF2N2O4 — CID 54577753

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O
InChIInChI=1S/C19H11ClF2N2O4/c20-13-8-16-15(27-19(21,22)28-16)7-12(13)10-5-6-17(23-9-10)24-18(26)11-3-1-2-4-14(11)25/h1-9,25H,(H,23,24,26)
InChIKeyNOYDLAGVXVBEEB-UHFFFAOYSA-N
MW404.76 g/mol
LogP4.68
Rot. Bonds3

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide (PubChem CID 54577753) has the molecular formula C19H11ClF2N2O4 and a molecular weight of 404.76 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide
PubChem CID54577753
Molecular FormulaC19H11ClF2N2O4
Molecular Weight404.76 g/mol
Exact Mass404.04
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O
InChIInChI=1S/C19H11ClF2N2O4/c20-13-8-16-15(27-19(21,22)28-16)7-12(13)10-5-6-17(23-9-10)24-18(26)11-3-1-2-4-14(11)25/h1-9,25H,(H,23,24,26)
InChIKeyNOYDLAGVXVBEEB-UHFFFAOYSA-N
XLogP4.68
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide (CID 54577753) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide?
The InChIKey is NOYDLAGVXVBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O4/c20-13-8-16-15(27-19(21,22)28-16)7-12(13)10-5-6-17(23-9-10)24-18(26)11-3-1-2-4-14(11)25/h1-9,25H,(H,23,24,26).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide has a molecular weight of 404.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide is sourced from PubChem (CID 54577753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).