3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide

C19H18FN3O2 — CID 122246957

IUPAC3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2nccnc2-c2ccoc2)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-13-10-14(2-4-16(13)20)3-5-18(24)23-11-17-19(22-8-7-21-17)15-6-9-25-12-15/h2,4,6-10,12H,3,5,11H2,1H3,(H,23,24)
InChIKeyZKWRPJSIABGJRA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.43
Rot. Bonds6

About 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide

3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide (PubChem CID 122246957) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
PubChem CID122246957
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2nccnc2-c2ccoc2)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-13-10-14(2-4-16(13)20)3-5-18(24)23-11-17-19(22-8-7-21-17)15-6-9-25-12-15/h2,4,6-10,12H,3,5,11H2,1H3,(H,23,24)
InChIKeyZKWRPJSIABGJRA-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122246956
2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162936
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 122162973
5-fluoro-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 122163013
2-(benzimidazol-1-yl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162969
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide (CID 122246957) is 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide is Cc1cc(CCC(=O)NCc2nccnc2-c2ccoc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide?
The InChIKey is ZKWRPJSIABGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-10-14(2-4-16(13)20)3-5-18(24)23-11-17-19(22-8-7-21-17)15-6-9-25-12-15/h2,4,6-10,12H,3,5,11H2,1H3,(H,23,24).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide?
3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide has a molecular weight of 339.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 122246957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).