3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide

C20H19FN2O2 — CID 119105221

IUPAC3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2ccc(-c3ccoc3)nc2)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-14-10-15(2-5-18(14)21)4-7-20(24)23-12-16-3-6-19(22-11-16)17-8-9-25-13-17/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24)
InChIKeyRWSMMKVSFJDVAH-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.04
Rot. Bonds6

About 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide

3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 119105221) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
PubChem CID119105221
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2ccc(-c3ccoc3)nc2)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-14-10-15(2-5-18(14)21)4-7-20(24)23-12-16-3-6-19(22-11-16)17-8-9-25-13-17/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24)
InChIKeyRWSMMKVSFJDVAH-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
CID 122246957
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274401
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide (CID 119105221) is 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide is Cc1cc(CCC(=O)NCc2ccc(-c3ccoc3)nc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is RWSMMKVSFJDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-14-10-15(2-5-18(14)21)4-7-20(24)23-12-16-3-6-19(22-11-16)17-8-9-25-13-17/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide?
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 338.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 119105221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).