N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide

C20H23F2N3O2 — CID 167322962

IUPACN'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)N[C@@H]1CCC2(CCCCC2)C1
InChIInChI=1S/C20H23F2N3O2/c21-14-8-13-16(9-15(14)22)23-11-17(13)25-19(27)18(26)24-12-4-7-20(10-12)5-2-1-3-6-20/h8-9,11-12,23H,1-7,10H2,(H,24,26)(H,25,27)/t12-/m1/s1
InChIKeyGMRDLNOYQAKBFM-GFCCVEGCSA-N
MW375.42 g/mol
LogP4.00
Rot. Bonds2

About N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide

N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide (PubChem CID 167322962) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide.

Molecular Properties

Compound NameN'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide
PubChem CID167322962
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)N[C@@H]1CCC2(CCCCC2)C1
InChIInChI=1S/C20H23F2N3O2/c21-14-8-13-16(9-15(14)22)23-11-17(13)25-19(27)18(26)24-12-4-7-20(10-12)5-2-1-3-6-20/h8-9,11-12,23H,1-7,10H2,(H,24,26)(H,25,27)/t12-/m1/s1
InChIKeyGMRDLNOYQAKBFM-GFCCVEGCSA-N
XLogP4.00
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide?
The IUPAC name of N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide (CID 167322962) is N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide.
What is the SMILES notation for N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide?
The canonical SMILES for N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)N[C@@H]1CCC2(CCCCC2)C1.
What is the InChIKey of N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide?
The InChIKey is GMRDLNOYQAKBFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c21-14-8-13-16(9-15(14)22)23-11-17(13)25-19(27)18(26)24-12-4-7-20(10-12)5-2-1-3-6-20/h8-9,11-12,23H,1-7,10H2,(H,24,26)(H,25,27)/t12-/m1/s1.
What are the key properties of N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide?
N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide has a molecular weight of 375.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide is sourced from PubChem (CID 167322962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).