N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide

C13H14BrFN2O2 — CID 66195936

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN2O2/c14-9-5-6(15)1-2-7(9)13(18)17-11-10(16)8-3-4-19-12(8)11/h1-2,5,8,10-12H,3-4,16H2,(H,17,18)
InChIKeyUAIDITGWCBBRCN-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.43
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide (PubChem CID 66195936) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
PubChem CID66195936
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN2O2/c14-9-5-6(15)1-2-7(9)13(18)17-11-10(16)8-3-4-19-12(8)11/h1-2,5,8,10-12H,3-4,16H2,(H,17,18)
InChIKeyUAIDITGWCBBRCN-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide 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-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
CID 66195745
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 66195370
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
CID 66196124
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-hydroxy-4-methoxybenzamide
CID 66195157
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide (CID 66195936) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide is NC1C2CCOC2C1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide?
The InChIKey is UAIDITGWCBBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-9-5-6(15)1-2-7(9)13(18)17-11-10(16)8-3-4-19-12(8)11/h1-2,5,8,10-12H,3-4,16H2,(H,17,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide has a molecular weight of 329.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 66195936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).