5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide

C16H18BrN3O3 — CID 164625809

IUPAC5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C16H18BrN3O3/c1-15(2,3)19-14(23)16(20-7-6-12(20)21)10-8-9(17)4-5-11(10)18-13(16)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyNRICGNAXAHIMNS-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide

5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide (PubChem CID 164625809) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide
PubChem CID164625809
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C16H18BrN3O3/c1-15(2,3)19-14(23)16(20-7-6-12(20)21)10-8-9(17)4-5-11(10)18-13(16)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyNRICGNAXAHIMNS-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-7-(trifluoromethyl)-1H-indole-3-carboxamide
CID 164610492
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 131964967
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
5-bromo-3-hydroxy-3-prop-2-enyl-1H-indol-2-one
CID 12982620
methyl 2-(5-bromo-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl)acetate
CID 15956437
5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 1262495
CID 15359798
CID 15359798
tert-butyl 2'-amino-5-bromo-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydrochromene]-3'-carboxylate
CID 102035283
(3S)-5-bromo-N-ethyl-2-oxospiro[1H-indole-3,3'-5,6,7,8-tetrahydropyrrolizine]-2'-carboxamide
CID 72696968
(3R)-5-bromo-2'-butanoylspiro[1H-indole-3,1'-4,9-dihydro-3H-pyrido[3,4-b]indole]-2-one
CID 40854034
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide (CID 164625809) is 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide is CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide?
The InChIKey is NRICGNAXAHIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-15(2,3)19-14(23)16(20-7-6-12(20)21)10-8-9(17)4-5-11(10)18-13(16)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide?
5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 164625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).