[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate

C19H13F2N3O3 — CID 20866816

IUPAC[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate
SMILESO=C(OCc1nccnc1C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H13F2N3O3/c20-13-6-7-15(14(21)10-13)24-18(25)17-16(22-8-9-23-17)11-27-19(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)
InChIKeyYYASRPKVPIASCV-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.36
Rot. Bonds5

About [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate

[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate (PubChem CID 20866816) has the molecular formula C19H13F2N3O3 and a molecular weight of 369.33 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate
PubChem CID20866816
Molecular FormulaC19H13F2N3O3
Molecular Weight369.33 g/mol
Exact Mass369.09
IUPAC Name[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate
SMILESO=C(OCc1nccnc1C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H13F2N3O3/c20-13-6-7-15(14(21)10-13)24-18(25)17-16(22-8-9-23-17)11-27-19(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)
InChIKeyYYASRPKVPIASCV-UHFFFAOYSA-N
XLogP3.36
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate?
The IUPAC name of [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate (CID 20866816) is [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate.
What is the SMILES notation for [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate?
The canonical SMILES for [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate is O=C(OCc1nccnc1C(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate?
The InChIKey is YYASRPKVPIASCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3/c20-13-6-7-15(14(21)10-13)24-18(25)17-16(22-8-9-23-17)11-27-19(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25).
What are the key properties of [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate?
[3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate has a molecular weight of 369.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)carbamoyl]pyrazin-2-yl]methyl benzoate is sourced from PubChem (CID 20866816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).