2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide

C13H16ClN3O2 — CID 66213061

IUPAC2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1C(N)C2CCOC21
InChIInChI=1S/C13H16ClN3O2/c14-7-2-1-3-8(9(7)13(16)18)17-11-10(15)6-4-5-19-12(6)11/h1-3,6,10-12,17H,4-5,15H2,(H2,16,18)
InChIKeyNLZVUPWUOXRSDH-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.97
Rot. Bonds3

About 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide

2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide (PubChem CID 66213061) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
PubChem CID66213061
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1C(N)C2CCOC21
InChIInChI=1S/C13H16ClN3O2/c14-7-2-1-3-8(9(7)13(16)18)17-11-10(15)6-4-5-19-12(6)11/h1-3,6,10-12,17H,4-5,15H2,(H2,16,18)
InChIKeyNLZVUPWUOXRSDH-UHFFFAOYSA-N
XLogP0.97
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide?
The IUPAC name of 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide (CID 66213061) is 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide?
The canonical SMILES for 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1NC1C(N)C2CCOC21.
What is the InChIKey of 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide?
The InChIKey is NLZVUPWUOXRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-7-2-1-3-8(9(7)13(16)18)17-11-10(15)6-4-5-19-12(6)11/h1-3,6,10-12,17H,4-5,15H2,(H2,16,18).
What are the key properties of 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide?
2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide has a molecular weight of 281.74 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide is sourced from PubChem (CID 66213061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).