5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid

C18H12FN3O3 — CID 137373444

IUPAC5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cc(F)ccc2-c2ccccc2)cn1
InChIInChI=1S/C18H12FN3O3/c19-12-6-7-13(11-4-2-1-3-5-11)14(8-12)17(23)22-16-10-20-15(9-21-16)18(24)25/h1-10H,(H,24,25)(H,21,22,23)
InChIKeyPJIIFPAULOZWSY-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.23
Rot. Bonds4

About 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid

5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 137373444) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID137373444
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cc(F)ccc2-c2ccccc2)cn1
InChIInChI=1S/C18H12FN3O3/c19-12-6-7-13(11-4-2-1-3-5-11)14(8-12)17(23)22-16-10-20-15(9-21-16)18(24)25/h1-10H,(H,24,25)(H,21,22,23)
InChIKeyPJIIFPAULOZWSY-UHFFFAOYSA-N
XLogP3.23
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid (CID 137373444) is 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC(=O)c2cc(F)ccc2-c2ccccc2)cn1.
What is the InChIKey of 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is PJIIFPAULOZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-12-6-7-13(11-4-2-1-3-5-11)14(8-12)17(23)22-16-10-20-15(9-21-16)18(24)25/h1-10H,(H,24,25)(H,21,22,23).
What are the key properties of 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137373444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).