2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide

C13H12FN3O2 — CID 86794505

IUPAC2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1cnccn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-9(4-3-5-10(12)14)13(18)17-11-8-15-6-7-16-11/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWOPAIMQSVBDALW-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.27
Rot. Bonds4

About 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide

2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide (PubChem CID 86794505) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
PubChem CID86794505
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1cnccn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-9(4-3-5-10(12)14)13(18)17-11-8-15-6-7-16-11/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWOPAIMQSVBDALW-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
CID 99812912
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide
CID 75432259
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
4-[(2-ethoxy-3-fluorobenzoyl)amino]butanoic acid
CID 119170570
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
CID 119613240
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide (CID 86794505) is 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide is CCOc1c(F)cccc1C(=O)Nc1cnccn1.
What is the InChIKey of 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide?
The InChIKey is WOPAIMQSVBDALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-2-19-12-9(4-3-5-10(12)14)13(18)17-11-8-15-6-7-16-11/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide?
2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide has a molecular weight of 261.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 86794505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).