3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C26H25FN2O2 — CID 20899973

IUPAC3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C26H25FN2O2/c1-31-25-13-7-3-8-19(25)16-28-26(30)15-14-20-17-29(24-12-6-4-10-22(20)24)18-21-9-2-5-11-23(21)27/h2-13,17H,14-16,18H2,1H3,(H,28,30)
InChIKeyIJBAECLWARZGFZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.09
Rot. Bonds8

About 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 20899973) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID20899973
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C26H25FN2O2/c1-31-25-13-7-3-8-19(25)16-28-26(30)15-14-20-17-29(24-12-6-4-10-22(20)24)18-21-9-2-5-11-23(21)27/h2-13,17H,14-16,18H2,1H3,(H,28,30)
InChIKeyIJBAECLWARZGFZ-UHFFFAOYSA-N
XLogP5.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 164781458
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899982
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 92721951
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 20899973) is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is IJBAECLWARZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-31-25-13-7-3-8-19(25)16-28-26(30)15-14-20-17-29(24-12-6-4-10-22(20)24)18-21-9-2-5-11-23(21)27/h2-13,17H,14-16,18H2,1H3,(H,28,30).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 416.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20899973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).