2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide

C23H24F3N3O — CID 156815759

IUPAC2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O/c1-29(2)20(30)12-27-11-13-7-15(8-13)21-18-9-17(25)10-19(26)23(18)28-22(21)14-3-5-16(24)6-4-14/h3-6,9-10,13,15,27-28H,7-8,11-12H2,1-2H3
InChIKeyDQGIZXQGAHKANM-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.42
Rot. Bonds6

About 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide

2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide (PubChem CID 156815759) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide
PubChem CID156815759
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O/c1-29(2)20(30)12-27-11-13-7-15(8-13)21-18-9-17(25)10-19(26)23(18)28-22(21)14-3-5-16(24)6-4-14/h3-6,9-10,13,15,27-28H,7-8,11-12H2,1-2H3
InChIKeyDQGIZXQGAHKANM-UHFFFAOYSA-N
XLogP4.42
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide (CID 156815759) is 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide?
The InChIKey is DQGIZXQGAHKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-29(2)20(30)12-27-11-13-7-15(8-13)21-18-9-17(25)10-19(26)23(18)28-22(21)14-3-5-16(24)6-4-14/h3-6,9-10,13,15,27-28H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide?
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide has a molecular weight of 415.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 156815759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).