(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide

C13H11F2N3O2 — CID 42561688

IUPAC(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
SMILESC[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1cnccn1
InChIInChI=1S/C13H11F2N3O2/c1-8(13(19)18-12-7-16-4-5-17-12)20-11-3-2-9(14)6-10(11)15/h2-8H,1H3,(H,17,18,19)/t8-/m1/s1
InChIKeyFZXWQELAXFSOQL-MRVPVSSYSA-N
MW279.25 g/mol
LogP2.16
Rot. Bonds4

About (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide

(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide (PubChem CID 42561688) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
PubChem CID42561688
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
SMILESC[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1cnccn1
InChIInChI=1S/C13H11F2N3O2/c1-8(13(19)18-12-7-16-4-5-17-12)20-11-3-2-9(14)6-10(11)15/h2-8H,1H3,(H,17,18,19)/t8-/m1/s1
InChIKeyFZXWQELAXFSOQL-MRVPVSSYSA-N
XLogP2.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
CID 47090619
2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 134701485
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
1-[[(2R)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-ethylthiourea
CID 40633643
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide?
The IUPAC name of (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide (CID 42561688) is (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide is C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1cnccn1.
What is the InChIKey of (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide?
The InChIKey is FZXWQELAXFSOQL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8(13(19)18-12-7-16-4-5-17-12)20-11-3-2-9(14)6-10(11)15/h2-8H,1H3,(H,17,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide?
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide has a molecular weight of 279.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 42561688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).