N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C18H16FN3O2 — CID 53177012

IUPACN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H16FN3O2/c19-12-4-3-5-13(10-12)20-17(24)22-9-8-18(11-22)14-6-1-2-7-15(14)21-16(18)23/h1-7,10H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeySZOPJMISDANZTO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.95
Rot. Bonds1

About N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 53177012) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID53177012
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H16FN3O2/c19-12-4-3-5-13(10-12)20-17(24)22-9-8-18(11-22)14-6-1-2-7-15(14)21-16(18)23/h1-7,10H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeySZOPJMISDANZTO-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
tert-butyl (2'S,3S)-2-oxo-2'-(3-phenylphenyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 162671542
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
3-ethyl-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
CID 11524003
5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11532105
3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336
3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11683077
1'-[(1R)-3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16038376
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)propyl)-3,3-dimethylindolin-2-one
CID 16067547
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
(R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067551

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 53177012) is N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is O=C(Nc1cccc(F)c1)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is SZOPJMISDANZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-12-4-3-5-13(10-12)20-17(24)22-9-8-18(11-22)14-6-1-2-7-15(14)21-16(18)23/h1-7,10H,8-9,11H2,(H,20,24)(H,21,23).
What are the key properties of N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 53177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).