(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

C17H18FN3O3 — CID 68852249

IUPAC(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESO=C1NC(=O)[C@@]2(C(=O)Nc3ccc(F)cc32)N1CC1CCCCC1
InChIInChI=1S/C17H18FN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)20-16(24)21(17)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,22)(H,20,23,24)/t17-/m1/s1
InChIKeyCGJANKBDZFHUFC-QGZVFWFLSA-N
MW331.35 g/mol
LogP2.11
Rot. Bonds2

About (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (PubChem CID 68852249) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
PubChem CID68852249
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESO=C1NC(=O)[C@@]2(C(=O)Nc3ccc(F)cc32)N1CC1CCCCC1
InChIInChI=1S/C17H18FN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)20-16(24)21(17)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,22)(H,20,23,24)/t17-/m1/s1
InChIKeyCGJANKBDZFHUFC-QGZVFWFLSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione with MolForge

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Related Compounds

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one
CID 14592307
4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one
CID 59346595
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
CID 134088011
(1R,3S,3aR,6aS)-5-cyclohexyl-5'-fluoro-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 51523516
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
(5R)-5-(cyclobutylmethoxy)-3-ethyl-7-fluoro-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 70226370
(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 99807241
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
CID 166482233

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (CID 68852249) is (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is O=C1NC(=O)[C@@]2(C(=O)Nc3ccc(F)cc32)N1CC1CCCCC1.
What is the InChIKey of (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is CGJANKBDZFHUFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)20-16(24)21(17)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,22)(H,20,23,24)/t17-/m1/s1.
What are the key properties of (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 331.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 68852249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).