N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide

C22H20F3N3O2 — CID 166008616

IUPACN-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(N)=O
InChIInChI=1S/C22H20F3N3O2/c1-10(21(26)29)27-22(30)13-6-12(7-13)18-16-8-15(24)9-17(25)20(16)28-19(18)11-2-4-14(23)5-3-11/h2-5,8-10,12-13,28H,6-7H2,1H3,(H2,26,29)(H,27,30)
InChIKeyUBVPDTMIAKQIBT-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.74
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide

N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide (PubChem CID 166008616) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide
PubChem CID166008616
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(N)=O
InChIInChI=1S/C22H20F3N3O2/c1-10(21(26)29)27-22(30)13-6-12(7-13)18-16-8-15(24)9-17(25)20(16)28-19(18)11-2-4-14(23)5-3-11/h2-5,8-10,12-13,28H,6-7H2,1H3,(H2,26,29)(H,27,30)
InChIKeyUBVPDTMIAKQIBT-UHFFFAOYSA-N
XLogP3.74
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide (CID 166008616) is N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide is CC(NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide?
The InChIKey is UBVPDTMIAKQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-10(21(26)29)27-22(30)13-6-12(7-13)18-16-8-15(24)9-17(25)20(16)28-19(18)11-2-4-14(23)5-3-11/h2-5,8-10,12-13,28H,6-7H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166008616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).