N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide

C13H14Cl2N2O2 — CID 66194783

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-7-2-1-3-8(15)9(7)13(18)17-11-10(16)6-4-5-19-12(6)11/h1-3,6,10-12H,4-5,16H2,(H,17,18)
InChIKeyDCWCHKGBIBDPFL-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.84
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide (PubChem CID 66194783) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
PubChem CID66194783
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-7-2-1-3-8(15)9(7)13(18)17-11-10(16)6-4-5-19-12(6)11/h1-3,6,10-12H,4-5,16H2,(H,17,18)
InChIKeyDCWCHKGBIBDPFL-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide (CID 66194783) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide is NC1C2CCOC2C1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide?
The InChIKey is DCWCHKGBIBDPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-7-2-1-3-8(15)9(7)13(18)17-11-10(16)6-4-5-19-12(6)11/h1-3,6,10-12H,4-5,16H2,(H,17,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide has a molecular weight of 301.17 g/mol, XLogP of 1.84, 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)-2,6-dichlorobenzamide is sourced from PubChem (CID 66194783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).