N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide

C18H9ClF5N3O — CID 11546102

IUPACN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C18H9ClF5N3O/c19-11-5-4-9(18(22,23)24)6-10(11)14-7-26-15(8-25-14)27-17(28)16-12(20)2-1-3-13(16)21/h1-8H,(H,26,27,28)
InChIKeyLWJKSVUJZBEXCH-UHFFFAOYSA-N
MW413.73 g/mol
LogP5.35
Rot. Bonds3

About N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 11546102) has the molecular formula C18H9ClF5N3O and a molecular weight of 413.73 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID11546102
Molecular FormulaC18H9ClF5N3O
Molecular Weight413.73 g/mol
Exact Mass413.04
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C18H9ClF5N3O/c19-11-5-4-9(18(22,23)24)6-10(11)14-7-26-15(8-25-14)27-17(28)16-12(20)2-1-3-13(16)21/h1-8H,(H,26,27,28)
InChIKeyLWJKSVUJZBEXCH-UHFFFAOYSA-N
XLogP5.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 11546102) is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is O=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is LWJKSVUJZBEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF5N3O/c19-11-5-4-9(18(22,23)24)6-10(11)14-7-26-15(8-25-14)27-17(28)16-12(20)2-1-3-13(16)21/h1-8H,(H,26,27,28).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 413.73 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 11546102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).