N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide

C19H11BrCl2N2O3 — CID 58487381

IUPACN-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11BrCl2N2O3/c20-12-7-16-15(26-9-27-16)6-11(12)10-4-5-17(23-8-10)24-19(25)18-13(21)2-1-3-14(18)22/h1-8H,9H2,(H,23,24,25)
InChIKeyRVYABUPWJPERCW-UHFFFAOYSA-N
MW466.12 g/mol
LogP5.80
Rot. Bonds3

About N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide (PubChem CID 58487381) has the molecular formula C19H11BrCl2N2O3 and a molecular weight of 466.12 g/mol. Its IUPAC name is N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide
PubChem CID58487381
Molecular FormulaC19H11BrCl2N2O3
Molecular Weight466.12 g/mol
Exact Mass463.93
IUPAC NameN-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11BrCl2N2O3/c20-12-7-16-15(26-9-27-16)6-11(12)10-4-5-17(23-8-10)24-19(25)18-13(21)2-1-3-14(18)22/h1-8H,9H2,(H,23,24,25)
InChIKeyRVYABUPWJPERCW-UHFFFAOYSA-N
XLogP5.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.12
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methyl-1,3-benzodioxole-4-carboxamide
CID 58487203
N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methoxybenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxybenzamide;2-chloro-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]-5-fluoro-2-methoxybenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxybenzamide
CID 158845678
(2Z)-N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-fluoro-2-methylpenta-2,4-dienamide
CID 88885251
N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide
CID 159515633
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 162011863
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486713
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 159545919
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-(5-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]benzamide
CID 160640447

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide (CID 58487381) is N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide is O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide?
The InChIKey is RVYABUPWJPERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrCl2N2O3/c20-12-7-16-15(26-9-27-16)6-11(12)10-4-5-17(23-8-10)24-19(25)18-13(21)2-1-3-14(18)22/h1-8H,9H2,(H,23,24,25).
What are the key properties of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide?
N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide has a molecular weight of 466.12 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 58487381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).