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

C20H14F2N2O3 — CID 54576888

IUPAC2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCO2
InChIInChI=1S/C20H14F2N2O3/c1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyHNZYNQCHNNXXCO-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.32
Rot. Bonds3

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

2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (PubChem CID 54576888) has the molecular formula C20H14F2N2O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
PubChem CID54576888
Molecular FormulaC20H14F2N2O3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCO2
InChIInChI=1S/C20H14F2N2O3/c1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22/h2-9H,10H2,1H3,(H,23,24,25)
InChIKeyHNZYNQCHNNXXCO-UHFFFAOYSA-N
XLogP4.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (CID 54576888) is 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCO2.
What is the InChIKey of 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is HNZYNQCHNNXXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3/c1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22/h2-9H,10H2,1H3,(H,23,24,25).
What are the key properties of 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 368.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 54576888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).