N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide

C13H15ClN2O3 — CID 66195347

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-8-5-6(1-2-9(8)17)13(18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,17H,3-4,15H2,(H,16,18)
InChIKeyCUAQNLODEGLMTB-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.89
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide (PubChem CID 66195347) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
PubChem CID66195347
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-8-5-6(1-2-9(8)17)13(18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,17H,3-4,15H2,(H,16,18)
InChIKeyCUAQNLODEGLMTB-UHFFFAOYSA-N
XLogP0.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
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)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
CID 66194783
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
CID 66195367
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
CID 66195765
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767220
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
CID 66196694
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
CID 91795247
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)-3-bromo-5-fluorobenzamide
CID 66195745

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide (CID 66195347) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide is NC1C2CCOC2C1NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide?
The InChIKey is CUAQNLODEGLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-8-5-6(1-2-9(8)17)13(18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,17H,3-4,15H2,(H,16,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide has a molecular weight of 282.73 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 66195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).