3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide

C24H21F2N3O — CID 25326081

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1
InChIInChI=1S/C24H21F2N3O/c1-15(16-10-12-27-13-11-16)28-23(30)9-7-20-21-14-19(26)6-8-22(21)29-24(20)17-2-4-18(25)5-3-17/h2-6,8,10-15,29H,7,9H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeySIJLNVDNBKOYSE-OAHLLOKOSA-N
MW405.45 g/mol
LogP5.32
Rot. Bonds6

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide (PubChem CID 25326081) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
PubChem CID25326081
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1
InChIInChI=1S/C24H21F2N3O/c1-15(16-10-12-27-13-11-16)28-23(30)9-7-20-21-14-19(26)6-8-22(21)29-24(20)17-2-4-18(25)5-3-17/h2-6,8,10-15,29H,7,9H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeySIJLNVDNBKOYSE-OAHLLOKOSA-N
XLogP5.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]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-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 8528835
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide (CID 25326081) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide is C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is SIJLNVDNBKOYSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-15(16-10-12-27-13-11-16)28-23(30)9-7-20-21-14-19(26)6-8-22(21)29-24(20)17-2-4-18(25)5-3-17/h2-6,8,10-15,29H,7,9H2,1H3,(H,28,30)/t15-/m1/s1.
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 405.45 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 25326081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).