N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

C23H27F2N3O — CID 8865731

IUPACN-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H27F2N3O/c1-3-28(4-2)14-13-26-22(29)12-10-19-20-15-18(25)9-11-21(20)27-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,27H,3-4,10,12-14H2,1-2H3,(H,26,29)
InChIKeyZUHOOVVNOAZDQI-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.50
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 8865731) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
PubChem CID8865731
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC NameN-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H27F2N3O/c1-3-28(4-2)14-13-26-22(29)12-10-19-20-15-18(25)9-11-21(20)27-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,27H,3-4,10,12-14H2,1-2H3,(H,26,29)
InChIKeyZUHOOVVNOAZDQI-UHFFFAOYSA-N
XLogP4.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-pyrrolidin-1-ylethyl)propanamide
CID 8531448
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
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-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 25326081

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 8865731) is N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is CCN(CC)CCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is ZUHOOVVNOAZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-3-28(4-2)14-13-26-22(29)12-10-19-20-15-18(25)9-11-21(20)27-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,27H,3-4,10,12-14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 8865731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).