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

C18H10ClF2N3O4 — CID 140627890

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O
InChIInChI=1S/C18H10ClF2N3O4/c19-11-6-15-14(27-18(20,21)28-15)5-10(11)12-7-23-16(8-22-12)24-17(26)9-3-1-2-4-13(9)25/h1-8,25H,(H,23,24,26)
InChIKeyBHDWUAVWYYDSTA-UHFFFAOYSA-N
MW405.74 g/mol
LogP4.08
Rot. Bonds3

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide (PubChem CID 140627890) has the molecular formula C18H10ClF2N3O4 and a molecular weight of 405.74 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
PubChem CID140627890
Molecular FormulaC18H10ClF2N3O4
Molecular Weight405.74 g/mol
Exact Mass405.03
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O
InChIInChI=1S/C18H10ClF2N3O4/c19-11-6-15-14(27-18(20,21)28-15)5-10(11)12-7-23-16(8-22-12)24-17(26)9-3-1-2-4-13(9)25/h1-8,25H,(H,23,24,26)
InChIKeyBHDWUAVWYYDSTA-UHFFFAOYSA-N
XLogP4.08
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.74
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
CID 58487435
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
CID 158708379
3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide
CID 90394489
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
CID 90394560
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
CID 58486674
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 90396552
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide
CID 54578409
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
CID 118343572
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 90396544
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71526421
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90394567

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide (CID 140627890) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide is O=C(Nc1cnc(-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)pyrazin-2-yl]-2-hydroxybenzamide?
The InChIKey is BHDWUAVWYYDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3O4/c19-11-6-15-14(27-18(20,21)28-15)5-10(11)12-7-23-16(8-22-12)24-17(26)9-3-1-2-4-13(9)25/h1-8,25H,(H,23,24,26).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide has a molecular weight of 405.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 140627890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).