3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide

C18H17FN2O — CID 70002976

IUPAC3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-11(2)21-15-6-4-3-5-14(15)16(17(21)18(20)22)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H2,20,22)
InChIKeyJFGGWGYIFBBTJN-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.13
Rot. Bonds3

About 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide

3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide (PubChem CID 70002976) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
PubChem CID70002976
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-11(2)21-15-6-4-3-5-14(15)16(17(21)18(20)22)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H2,20,22)
InChIKeyJFGGWGYIFBBTJN-UHFFFAOYSA-N
XLogP4.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide (CID 70002976) is 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide is CC(C)n1c(C(N)=O)c(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide?
The InChIKey is JFGGWGYIFBBTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11(2)21-15-6-4-3-5-14(15)16(17(21)18(20)22)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H2,20,22).
What are the key properties of 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide?
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 70002976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).