2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

C22H22FNO5 — CID 110296237

IUPAC2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(Cc2ccco2)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22FNO5/c1-26-19-11-16(12-20(27-2)21(19)28-3)24-22(25)18(13-17-5-4-10-29-17)14-6-8-15(23)9-7-14/h4-12,18H,13H2,1-3H3,(H,24,25)
InChIKeyNAGRHKKWICYSBJ-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.41
Rot. Bonds8

About 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 110296237) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID110296237
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(Cc2ccco2)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22FNO5/c1-26-19-11-16(12-20(27-2)21(19)28-3)24-22(25)18(13-17-5-4-10-29-17)14-6-8-15(23)9-7-14/h4-12,18H,13H2,1-3H3,(H,24,25)
InChIKeyNAGRHKKWICYSBJ-UHFFFAOYSA-N
XLogP4.41
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296223
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110615557
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 82120901
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312152
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110616262
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110308392
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 110296237) is 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(Cc2ccco2)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NAGRHKKWICYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO5/c1-26-19-11-16(12-20(27-2)21(19)28-3)24-22(25)18(13-17-5-4-10-29-17)14-6-8-15(23)9-7-14/h4-12,18H,13H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 399.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 110296237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).