5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide

C17H23BrN2O3 — CID 154835131

IUPAC5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C17H23BrN2O3/c1-16(2)6-11-7-17(3,9-16)10-20(11)14(21)8-19-15(22)12-4-5-13(18)23-12/h4-5,11H,6-10H2,1-3H3,(H,19,22)
InChIKeyBPEYLGCNXAODMT-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.20
Rot. Bonds3

About 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide (PubChem CID 154835131) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
PubChem CID154835131
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C17H23BrN2O3/c1-16(2)6-11-7-17(3,9-16)10-20(11)14(21)8-19-15(22)12-4-5-13(18)23-12/h4-5,11H,6-10H2,1-3H3,(H,19,22)
InChIKeyBPEYLGCNXAODMT-UHFFFAOYSA-N
XLogP3.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-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

5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 1770747
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 3979269
N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 7964563
5-Bromo-N-cyclohexyl-2-furamide
CID 600329
5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 744679
5-bromo-N-(diphenylmethyl)-2-furamide
CID 1292315
N~2~-[2-(4-Benzylpiperazino)-2-oxoethyl]-5-bromo-2-furamide
CID 2987038
5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3246782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide (CID 154835131) is 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)CNC(=O)c2ccc(Br)o2)C1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide?
The InChIKey is BPEYLGCNXAODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-16(2)6-11-7-17(3,9-16)10-20(11)14(21)8-19-15(22)12-4-5-13(18)23-12/h4-5,11H,6-10H2,1-3H3,(H,19,22).
What are the key properties of 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 154835131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).