1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide

C21H20FN3O2 — CID 113213013

IUPAC1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c2ccc(F)cc21
InChIInChI=1S/C21H20FN3O2/c1-14(26)25-13-19(18-9-4-15(22)12-20(18)25)21(27)23-16-5-7-17(8-6-16)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,27)
InChIKeyYLBYOSRUYTXOOO-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.29
Rot. Bonds3

About 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide

1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide (PubChem CID 113213013) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
PubChem CID113213013
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c2ccc(F)cc21
InChIInChI=1S/C21H20FN3O2/c1-14(26)25-13-19(18-9-4-15(22)12-20(18)25)21(27)23-16-5-7-17(8-6-16)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,27)
InChIKeyYLBYOSRUYTXOOO-UHFFFAOYSA-N
XLogP4.29
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
CID 110299200
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide (CID 113213013) is 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c2ccc(F)cc21.
What is the InChIKey of 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The InChIKey is YLBYOSRUYTXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(26)25-13-19(18-9-4-15(22)12-20(18)25)21(27)23-16-5-7-17(8-6-16)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,27).
What are the key properties of 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide is sourced from PubChem (CID 113213013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).