[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

C13H9Cl2F2N3O2 — CID 90280402

IUPAC[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NC(Cc1cc(F)cc(F)c1)c1ncc(Cl)nc1Cl
InChIInChI=1S/C13H9Cl2F2N3O2/c14-10-5-18-11(12(15)20-10)9(19-13(21)22)3-6-1-7(16)4-8(17)2-6/h1-2,4-5,9,19H,3H2,(H,21,22)
InChIKeyGNGKBIIPYBUYJZ-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.61
Rot. Bonds4

About [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (PubChem CID 90280402) has the molecular formula C13H9Cl2F2N3O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
PubChem CID90280402
Molecular FormulaC13H9Cl2F2N3O2
Molecular Weight348.14 g/mol
Exact Mass347.00
IUPAC Name[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NC(Cc1cc(F)cc(F)c1)c1ncc(Cl)nc1Cl
InChIInChI=1S/C13H9Cl2F2N3O2/c14-10-5-18-11(12(15)20-10)9(19-13(21)22)3-6-1-7(16)4-8(17)2-6/h1-2,4-5,9,19H,3H2,(H,21,22)
InChIKeyGNGKBIIPYBUYJZ-UHFFFAOYSA-N
XLogP3.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-bromo-6-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 121334134
[1-[5-bromo-2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 90281400
[(2S)-4-chloro-1-(3,5-difluorophenyl)-3-oxobutan-2-yl]carbamic acid
CID 87450332
[1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 90376100
[1-[3-bromo-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 90376450
tert-butyl N-[(1S)-1-(5-bromo-2-methylsulfonylpyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290216
[1-[3-bromo-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 135350527
[1-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-(3,3-dimethylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamic acid
CID 90376469
tert-butyl N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290190
1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
CID 105405774
(1R)-1-(5-bromopyrimidin-4-yl)-N-chloro-2-(3,5-difluorophenyl)ethanamine
CID 89370008
tert-butyl N-[1-[5-amino-3-[(Z)-2-methyliminohex-3-en-3-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 123860896

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The IUPAC name of [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (CID 90280402) is [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is O=C(O)NC(Cc1cc(F)cc(F)c1)c1ncc(Cl)nc1Cl.
What is the InChIKey of [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The InChIKey is GNGKBIIPYBUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O2/c14-10-5-18-11(12(15)20-10)9(19-13(21)22)3-6-1-7(16)4-8(17)2-6/h1-2,4-5,9,19H,3H2,(H,21,22).
What are the key properties of [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
[1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid has a molecular weight of 348.14 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloropyrazin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 90280402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).