N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide

C13H15ClN2O3 — CID 66196124

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
SMILESNC1C2CCOC2C1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H15ClN2O3/c14-6-1-2-9(17)8(5-6)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)
InChIKeyWXENLETYQRJOGT-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.89
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide (PubChem CID 66196124) 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)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
PubChem CID66196124
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
SMILESNC1C2CCOC2C1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H15ClN2O3/c14-6-1-2-9(17)8(5-6)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)
InChIKeyWXENLETYQRJOGT-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)-3-chloro-4-hydroxybenzamide
CID 66195347
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 66195370
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)-2-hydroxy-4-methoxybenzamide
CID 66195157
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-bromo-4-fluorobenzamide
CID 66195936
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
CID 66195765
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-methyl-2-nitrobenzamide
CID 66197087

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide (CID 66196124) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide is NC1C2CCOC2C1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide?
The InChIKey is WXENLETYQRJOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-6-1-2-9(17)8(5-6)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)-5-chloro-2-hydroxybenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-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)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 66196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).