N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide

C21H19F3N2O2 — CID 162389938

IUPACN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide
SMILESCC(=O)NCC1(O)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C21H19F3N2O2/c1-11(27)25-10-21(28)8-13(9-21)18-16-6-15(23)7-17(24)20(16)26-19(18)12-2-4-14(22)5-3-12/h2-7,13,26,28H,8-10H2,1H3,(H,25,27)
InChIKeyVRJMEOCEFGWVRJ-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.00
Rot. Bonds4

About N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide (PubChem CID 162389938) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide
PubChem CID162389938
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide
SMILESCC(=O)NCC1(O)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C21H19F3N2O2/c1-11(27)25-10-21(28)8-13(9-21)18-16-6-15(23)7-17(24)20(16)26-19(18)12-2-4-14(22)5-3-12/h2-7,13,26,28H,8-10H2,1H3,(H,25,27)
InChIKeyVRJMEOCEFGWVRJ-UHFFFAOYSA-N
XLogP4.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide?
The IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide (CID 162389938) is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide?
The canonical SMILES for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide is CC(=O)NCC1(O)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide?
The InChIKey is VRJMEOCEFGWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-11(27)25-10-21(28)8-13(9-21)18-16-6-15(23)7-17(24)20(16)26-19(18)12-2-4-14(22)5-3-12/h2-7,13,26,28H,8-10H2,1H3,(H,25,27).
What are the key properties of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide?
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide has a molecular weight of 388.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide is sourced from PubChem (CID 162389938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).