N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide

C25H20FN3O — CID 47077347

IUPACN-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1
InChIInChI=1S/C25H20FN3O/c1-29(20-6-4-5-17(15-20)16-27)24(30)14-13-22-21-7-2-3-8-23(21)28-25(22)18-9-11-19(26)12-10-18/h2-12,15,28H,13-14H2,1H3
InChIKeyNUAKYURISOEPJR-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.44
Rot. Bonds5

About N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide

N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide (PubChem CID 47077347) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide
PubChem CID47077347
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC NameN-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1
InChIInChI=1S/C25H20FN3O/c1-29(20-6-4-5-17(15-20)16-27)24(30)14-13-22-21-7-2-3-8-23(21)28-25(22)18-9-11-19(26)12-10-18/h2-12,15,28H,13-14H2,1H3
InChIKeyNUAKYURISOEPJR-UHFFFAOYSA-N
XLogP5.44
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide (CID 47077347) is N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide is CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide?
The InChIKey is NUAKYURISOEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-29(20-6-4-5-17(15-20)16-27)24(30)14-13-22-21-7-2-3-8-23(21)28-25(22)18-9-11-19(26)12-10-18/h2-12,15,28H,13-14H2,1H3.
What are the key properties of N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide?
N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide has a molecular weight of 397.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 47077347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).