2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide

C20H18F3N3O — CID 156815991

IUPAC2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
SMILESNC(=O)CNC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H18F3N3O/c21-12-3-1-10(2-4-12)19-18(11-5-14(6-11)25-9-17(24)27)15-7-13(22)8-16(23)20(15)26-19/h1-4,7-8,11,14,25-26H,5-6,9H2,(H2,24,27)
InChIKeyFEBVZGUNNWWLPO-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.57
Rot. Bonds5

About 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide

2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide (PubChem CID 156815991) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide.

Molecular Properties

Compound Name2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
PubChem CID156815991
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
SMILESNC(=O)CNC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H18F3N3O/c21-12-3-1-10(2-4-12)19-18(11-5-14(6-11)25-9-17(24)27)15-7-13(22)8-16(23)20(15)26-19/h1-4,7-8,11,14,25-26H,5-6,9H2,(H2,24,27)
InChIKeyFEBVZGUNNWWLPO-UHFFFAOYSA-N
XLogP3.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.57
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]amino]acetamide?
The IUPAC name of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide (CID 156815991) is 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide.
What is the SMILES notation for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide?
The canonical SMILES for 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide is NC(=O)CNC1CC(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]amino]acetamide?
The InChIKey is FEBVZGUNNWWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c21-12-3-1-10(2-4-12)19-18(11-5-14(6-11)25-9-17(24)27)15-7-13(22)8-16(23)20(15)26-19/h1-4,7-8,11,14,25-26H,5-6,9H2,(H2,24,27).
What are the key properties of 2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide?
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide has a molecular weight of 373.38 g/mol, XLogP of 3.57, 5 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]amino]acetamide is sourced from PubChem (CID 156815991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).