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

C21H23FN2O2 — CID 20899972

IUPAC3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C21H23FN2O2/c1-26-13-12-23-21(25)11-10-16-14-24(20-9-5-3-7-18(16)20)15-17-6-2-4-8-19(17)22/h2-9,14H,10-13,15H2,1H3,(H,23,25)
InChIKeyOBJPHZHWLFBMKM-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.52
Rot. Bonds8

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

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 20899972) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
PubChem CID20899972
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C21H23FN2O2/c1-26-13-12-23-21(25)11-10-16-14-24(20-9-5-3-7-18(16)20)15-17-6-2-4-8-19(17)22/h2-9,14H,10-13,15H2,1H3,(H,23,25)
InChIKeyOBJPHZHWLFBMKM-UHFFFAOYSA-N
XLogP3.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
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
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 92721949
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 164781458
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide (CID 20899972) is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is OBJPHZHWLFBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-26-13-12-23-21(25)11-10-16-14-24(20-9-5-3-7-18(16)20)15-17-6-2-4-8-19(17)22/h2-9,14H,10-13,15H2,1H3,(H,23,25).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 3.52, 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-methoxyethyl)propanamide is sourced from PubChem (CID 20899972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).