3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide

C23H21FN2O2 — CID 4266396

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccco2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H21FN2O2/c1-26-15-21(19-6-2-3-7-22(19)26)20(16-8-10-17(24)11-9-16)13-23(27)25-14-18-5-4-12-28-18/h2-12,15,20H,13-14H2,1H3,(H,25,27)
InChIKeyMHASEQMBPGGREA-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.75
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 4266396) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID4266396
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccco2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H21FN2O2/c1-26-15-21(19-6-2-3-7-22(19)26)20(16-8-10-17(24)11-9-16)13-23(27)25-14-18-5-4-12-28-18/h2-12,15,20H,13-14H2,1H3,(H,25,27)
InChIKeyMHASEQMBPGGREA-UHFFFAOYSA-N
XLogP4.75
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)-3-(4-nitrophenyl)propanamide
CID 90488656
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 98444385
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 98444374
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide (CID 4266396) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide is Cn1cc(C(CC(=O)NCc2ccco2)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is MHASEQMBPGGREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-26-15-21(19-6-2-3-7-22(19)26)20(16-8-10-17(24)11-9-16)13-23(27)25-14-18-5-4-12-28-18/h2-12,15,20H,13-14H2,1H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 376.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 4266396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).