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

C19H11ClF2N2O3 — CID 58486719

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1
InChIInChI=1S/C19H11ClF2N2O3/c20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11/h1-10H,(H,23,24,25)
InChIKeyFTAYPDOLIVBZIH-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.98
Rot. Bonds3

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (PubChem CID 58486719) has the molecular formula C19H11ClF2N2O3 and a molecular weight of 388.76 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
PubChem CID58486719
Molecular FormulaC19H11ClF2N2O3
Molecular Weight388.76 g/mol
Exact Mass388.04
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1
InChIInChI=1S/C19H11ClF2N2O3/c20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11/h1-10H,(H,23,24,25)
InChIKeyFTAYPDOLIVBZIH-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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Related Compounds

Zegocractin
CID 122507647
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-chloropyridin-2-yl)prop-2-enamide
CID 842577
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 71086592
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
CID 71086607
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-amine
CID 71086621
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 71105448
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pyridin-2-amine
CID 71105449
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 71105450
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 71105451
N-[(2-chlorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine
CID 71105453
N-[(2-chloro-6-fluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine
CID 71105455

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (CID 58486719) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is FTAYPDOLIVBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O3/c20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11/h1-10H,(H,23,24,25).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-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 N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58486719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).