2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone

C16H15ClF2N2O — CID 157202078

IUPAC2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)c(F)c(F)c2[nH]1)N1CC2(CCCC2)C1
InChIInChI=1S/C16H15ClF2N2O/c17-10-5-9-6-11(20-14(9)13(19)12(10)18)15(22)21-7-16(8-21)3-1-2-4-16/h5-6,20H,1-4,7-8H2
InChIKeyAQXKIDKAZYBHNG-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.12
Rot. Bonds1

About 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone

2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone (PubChem CID 157202078) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
PubChem CID157202078
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)c(F)c(F)c2[nH]1)N1CC2(CCCC2)C1
InChIInChI=1S/C16H15ClF2N2O/c17-10-5-9-6-11(20-14(9)13(19)12(10)18)15(22)21-7-16(8-21)3-1-2-4-16/h5-6,20H,1-4,7-8H2
InChIKeyAQXKIDKAZYBHNG-UHFFFAOYSA-N
XLogP4.12
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone
CID 170015234
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate
CID 68680510
(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 176934102
(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 162478720
4-(2-azaspiro[3.6]decan-2-yl)-3,5-dichlorobenzoic acid
CID 82810932
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
(6-ethyl-7-fluoro-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 176934668
7-chloro-5-fluoro-1H-indole-2-carboxylic acid
CID 59529914
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone?
The IUPAC name of 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone (CID 157202078) is 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone?
The canonical SMILES for 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(Cl)c(F)c(F)c2[nH]1)N1CC2(CCCC2)C1.
What is the InChIKey of 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone?
The InChIKey is AQXKIDKAZYBHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c17-10-5-9-6-11(20-14(9)13(19)12(10)18)15(22)21-7-16(8-21)3-1-2-4-16/h5-6,20H,1-4,7-8H2.
What are the key properties of 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone?
2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone has a molecular weight of 324.76 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 157202078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).