N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide

C25H23FN2O3 — CID 51489549

IUPACN-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C25H23FN2O3/c1-30-18-9-12-22(23(15-18)31-2)27-24(29)13-10-19-20-14-17(26)8-11-21(20)28-25(19)16-6-4-3-5-7-16/h3-9,11-12,14-15,28H,10,13H2,1-2H3,(H,27,29)
InChIKeyDOLUCTAYJLVMOD-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.56
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide (PubChem CID 51489549) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
PubChem CID51489549
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C25H23FN2O3/c1-30-18-9-12-22(23(15-18)31-2)27-24(29)13-10-19-20-14-17(26)8-11-21(20)28-25(19)16-6-4-3-5-7-16/h3-9,11-12,14-15,28H,10,13H2,1-2H3,(H,27,29)
InChIKeyDOLUCTAYJLVMOD-UHFFFAOYSA-N
XLogP5.56
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 16600556
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 16613871
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 46463974
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide (CID 51489549) is N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide is COc1ccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide?
The InChIKey is DOLUCTAYJLVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-30-18-9-12-22(23(15-18)31-2)27-24(29)13-10-19-20-14-17(26)8-11-21(20)28-25(19)16-6-4-3-5-7-16/h3-9,11-12,14-15,28H,10,13H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide has a molecular weight of 418.47 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 51489549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).