N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

C24H29F2N3O — CID 9084151

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H29F2N3O/c1-24(2,15-29(3)4)14-27-22(30)12-10-19-20-13-18(26)9-11-21(20)28-23(19)16-5-7-17(25)8-6-16/h5-9,11,13,28H,10,12,14-15H2,1-4H3,(H,27,30)
InChIKeyIIBCLOHAVKPYKW-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.75
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 9084151) has the molecular formula C24H29F2N3O and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
PubChem CID9084151
Molecular FormulaC24H29F2N3O
Molecular Weight413.51 g/mol
Exact Mass413.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H29F2N3O/c1-24(2,15-29(3)4)14-27-22(30)12-10-19-20-13-18(26)9-11-21(20)28-23(19)16-5-7-17(25)8-6-16/h5-9,11,13,28H,10,12,14-15H2,1-4H3,(H,27,30)
InChIKeyIIBCLOHAVKPYKW-UHFFFAOYSA-N
XLogP4.75
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 9084151) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is CN(C)CC(C)(C)CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is IIBCLOHAVKPYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O/c1-24(2,15-29(3)4)14-27-22(30)12-10-19-20-13-18(26)9-11-21(20)28-23(19)16-5-7-17(25)8-6-16/h5-9,11,13,28H,10,12,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 413.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 9084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).