3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C25H23FN2O2 — CID 9083531

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H23FN2O2/c1-30-23-9-5-2-6-18(23)16-27-24(29)15-14-21-20-7-3-4-8-22(20)28-25(21)17-10-12-19(26)13-11-17/h2-13,28H,14-16H2,1H3,(H,27,29)
InChIKeyCXNOTTKEHIZHSZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.23
Rot. Bonds7

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9083531) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9083531
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H23FN2O2/c1-30-23-9-5-2-6-18(23)16-27-24(29)15-14-21-20-7-3-4-8-22(20)28-25(21)17-10-12-19(26)13-11-17/h2-13,28H,14-16H2,1H3,(H,27,29)
InChIKeyCXNOTTKEHIZHSZ-UHFFFAOYSA-N
XLogP5.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
methyl 5-[[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]methyl]-2-methoxybenzoate
CID 55413065
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55671297
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55652406
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 9083531) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is CXNOTTKEHIZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-30-23-9-5-2-6-18(23)16-27-24(29)15-14-21-20-7-3-4-8-22(20)28-25(21)17-10-12-19(26)13-11-17/h2-13,28H,14-16H2,1H3,(H,27,29).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 402.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9083531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).