N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide

C19H18FN3O — CID 122135434

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1N1CCCC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18FN3O/c20-15-4-3-5-17(23-10-1-2-11-23)18(15)22-19(24)14-6-7-16-13(12-14)8-9-21-16/h3-9,12,21H,1-2,10-11H2,(H,22,24)
InChIKeyVSFYYBOWPKNSOD-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.16
Rot. Bonds3

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide (PubChem CID 122135434) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
PubChem CID122135434
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1N1CCCC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18FN3O/c20-15-4-3-5-17(23-10-1-2-11-23)18(15)22-19(24)14-6-7-16-13(12-14)8-9-21-16/h3-9,12,21H,1-2,10-11H2,(H,22,24)
InChIKeyVSFYYBOWPKNSOD-UHFFFAOYSA-N
XLogP4.16
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(4-fluoro-2-iodophenyl)-1H-indole-5-carboxamide
CID 79766806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide (CID 122135434) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide is O=C(Nc1c(F)cccc1N1CCCC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide?
The InChIKey is VSFYYBOWPKNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-4-3-5-17(23-10-1-2-11-23)18(15)22-19(24)14-6-7-16-13(12-14)8-9-21-16/h3-9,12,21H,1-2,10-11H2,(H,22,24).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 122135434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).