N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

C15H22BrN3O2 — CID 66213480

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H22BrN3O2/c1-8(2)19-7-9(16)6-11(19)15(20)18-13-12(17)10-4-3-5-21-14(10)13/h6-8,10,12-14H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyXVIUUPQWPSJLGI-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.07
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 66213480) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID66213480
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H22BrN3O2/c1-8(2)19-7-9(16)6-11(19)15(20)18-13-12(17)10-4-3-5-21-14(10)13/h6-8,10,12-14H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyXVIUUPQWPSJLGI-UHFFFAOYSA-N
XLogP2.07
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
CID 66212899
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 66213276
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66212696
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
CID 66211922
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115670996
4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64908073

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (CID 66213480) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XVIUUPQWPSJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-8(2)19-7-9(16)6-11(19)15(20)18-13-12(17)10-4-3-5-21-14(10)13/h6-8,10,12-14H,3-5,17H2,1-2H3,(H,18,20).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 66213480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).