6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H19ClN2O2 — CID 114945115

IUPAC6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-14(2)12-11(7-8-20-12)15(14,17)13(19)18-10-5-3-9(16)4-6-10/h3-6,11-12H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyBJMUTAIBFFFPTQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.42
Rot. Bonds2

About 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945115) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945115
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-14(2)12-11(7-8-20-12)15(14,17)13(19)18-10-5-3-9(16)4-6-10/h3-6,11-12H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyBJMUTAIBFFFPTQ-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945115) is 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is BJMUTAIBFFFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-14(2)12-11(7-8-20-12)15(14,17)13(19)18-10-5-3-9(16)4-6-10/h3-6,11-12H,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-chlorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).