4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide

C19H16ClFN4O2 — CID 174502097

IUPAC4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide
SMILESCC(Oc1nc(-c2ccc(C(N)=O)cc2)cnc1N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN4O2/c1-10(13-6-7-14(20)15(21)8-13)27-19-17(22)24-9-16(25-19)11-2-4-12(5-3-11)18(23)26/h2-10H,1H3,(H2,22,24)(H2,23,26)
InChIKeyIFMVIFQPEUHYRT-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.76
Rot. Bonds5

About 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide

4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide (PubChem CID 174502097) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide
PubChem CID174502097
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide
SMILESCC(Oc1nc(-c2ccc(C(N)=O)cc2)cnc1N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN4O2/c1-10(13-6-7-14(20)15(21)8-13)27-19-17(22)24-9-16(25-19)11-2-4-12(5-3-11)18(23)26/h2-10H,1H3,(H2,22,24)(H2,23,26)
InChIKeyIFMVIFQPEUHYRT-UHFFFAOYSA-N
XLogP3.76
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide (CID 174502097) is 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide is CC(Oc1nc(-c2ccc(C(N)=O)cc2)cnc1N)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide?
The InChIKey is IFMVIFQPEUHYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-10(13-6-7-14(20)15(21)8-13)27-19-17(22)24-9-16(25-19)11-2-4-12(5-3-11)18(23)26/h2-10H,1H3,(H2,22,24)(H2,23,26).
What are the key properties of 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide?
4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide has a molecular weight of 386.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[1-(4-chloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 174502097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).