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

C16H14ClF2N3O3 — CID 58486674

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H14ClF2N3O3/c1-2-3-4-15(23)22-14-8-20-11(7-21-14)9-5-12-13(6-10(9)17)25-16(18,19)24-12/h5-8H,2-4H2,1H3,(H,21,22,23)
InChIKeyGVFCRORLZUICJY-UHFFFAOYSA-N
MW369.76 g/mol
LogP4.25
Rot. Bonds5

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide (PubChem CID 58486674) has the molecular formula C16H14ClF2N3O3 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
PubChem CID58486674
Molecular FormulaC16H14ClF2N3O3
Molecular Weight369.76 g/mol
Exact Mass369.07
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H14ClF2N3O3/c1-2-3-4-15(23)22-14-8-20-11(7-21-14)9-5-12-13(6-10(9)17)25-16(18,19)24-12/h5-8H,2-4H2,1H3,(H,21,22,23)
InChIKeyGVFCRORLZUICJY-UHFFFAOYSA-N
XLogP4.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]oxolane-2-carboxamide
CID 54578409
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]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
CID 160524481
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-phenylpropanamide
CID 58486647
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]cyclopentanecarboxamide
CID 58487076
N-(5-chloropyrazin-2-yl)octanamide
CID 104964264
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-fluoro-2-methylpenta-2,4-dienamide
CID 123667540
4-chloro-N-[6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide
CID 123747600
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-methylpyrazin-2-yl)hexanamide
CID 59059045
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 58486834

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide (CID 58486674) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide is CCCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide?
The InChIKey is GVFCRORLZUICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O3/c1-2-3-4-15(23)22-14-8-20-11(7-21-14)9-5-12-13(6-10(9)17)25-16(18,19)24-12/h5-8H,2-4H2,1H3,(H,21,22,23).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide has a molecular weight of 369.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 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)pyrazin-2-yl]pentanamide is sourced from PubChem (CID 58486674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).