2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide

C14H18ClN3O2 — CID 66212527

IUPAC2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H18ClN3O2/c15-8-4-1-5-9(10(8)14(17)19)18-12-11(16)7-3-2-6-20-13(7)12/h1,4-5,7,11-13,18H,2-3,6,16H2,(H2,17,19)
InChIKeyXQTOFRAJNWSUOH-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.36
Rot. Bonds3

About 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide

2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide (PubChem CID 66212527) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
PubChem CID66212527
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H18ClN3O2/c15-8-4-1-5-9(10(8)14(17)19)18-12-11(16)7-3-2-6-20-13(7)12/h1,4-5,7,11-13,18H,2-3,6,16H2,(H2,17,19)
InChIKeyXQTOFRAJNWSUOH-UHFFFAOYSA-N
XLogP1.36
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide?
The IUPAC name of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide (CID 66212527) is 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide?
The canonical SMILES for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1NC1C(N)C2CCCOC21.
What is the InChIKey of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide?
The InChIKey is XQTOFRAJNWSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-8-4-1-5-9(10(8)14(17)19)18-12-11(16)7-3-2-6-20-13(7)12/h1,4-5,7,11-13,18H,2-3,6,16H2,(H2,17,19).
What are the key properties of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide?
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide has a molecular weight of 295.77 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide is sourced from PubChem (CID 66212527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).