N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide

C14H13F2N3O2 — CID 156720645

IUPACN-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)NC1CCC1
InChIInChI=1S/C14H13F2N3O2/c15-9-4-8-11(5-10(9)16)17-6-12(8)19-14(21)13(20)18-7-2-1-3-7/h4-7,17H,1-3H2,(H,18,20)(H,19,21)
InChIKeyOZPAQSODBMZNFX-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.05
Rot. Bonds2

About N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide

N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide (PubChem CID 156720645) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide.

Molecular Properties

Compound NameN-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
PubChem CID156720645
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)NC1CCC1
InChIInChI=1S/C14H13F2N3O2/c15-9-4-8-11(5-10(9)16)17-6-12(8)19-14(21)13(20)18-7-2-1-3-7/h4-7,17H,1-3H2,(H,18,20)(H,19,21)
InChIKeyOZPAQSODBMZNFX-UHFFFAOYSA-N
XLogP2.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5,6-difluoro-1H-indol-3-yl)-N-[(3R)-spiro[4.5]decan-3-yl]oxamide
CID 167322962
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945
1-[6-(3-bicyclo[3.2.1]octanyl)-5-methyl-3-pyridinyl]-3-(5,6-difluoro-1H-indol-3-yl)urea
CID 156574528
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 168678351
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 162445071
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
1-(5,6-difluoro-1H-indol-3-yl)-3-[5-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]urea
CID 156574301

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide?
The IUPAC name of N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide (CID 156720645) is N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide.
What is the SMILES notation for N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide?
The canonical SMILES for N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide?
The InChIKey is OZPAQSODBMZNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-9-4-8-11(5-10(9)16)17-6-12(8)19-14(21)13(20)18-7-2-1-3-7/h4-7,17H,1-3H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide?
N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide has a molecular weight of 293.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide is sourced from PubChem (CID 156720645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).