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

C23H24F3N3O — CID 156816335

IUPAC2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O/c1-12(23(30)27-2)28-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)29-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30)
InChIKeyDZMORBPPDHERPH-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.47
Rot. Bonds6

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

2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide (PubChem CID 156816335) 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-methylpropanamide.

Molecular Properties

Compound Name2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide
PubChem CID156816335
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-methylpropanamide
SMILESCNC(=O)C(C)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O/c1-12(23(30)27-2)28-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)29-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30)
InChIKeyDZMORBPPDHERPH-UHFFFAOYSA-N
XLogP4.47
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
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-methylpropanamide?
The IUPAC name of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide (CID 156816335) is 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCC1CC(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-methylpropanamide?
The InChIKey is DZMORBPPDHERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-12(23(30)27-2)28-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)29-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30).
What are the key properties of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide?
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-methylpropanamide has a molecular weight of 415.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 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-methylpropanamide is sourced from PubChem (CID 156816335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).