7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H11Cl2NO — CID 81429876

IUPAC7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc(C2CNc3ccc(Cl)cc3O2)c1
InChIInChI=1S/C14H11Cl2NO/c15-10-3-1-2-9(6-10)14-8-17-12-5-4-11(16)7-13(12)18-14/h1-7,14,17H,8H2
InChIKeyWJZLJCVMNOEEJP-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.54
Rot. Bonds1

About 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81429876) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81429876
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc(C2CNc3ccc(Cl)cc3O2)c1
InChIInChI=1S/C14H11Cl2NO/c15-10-3-1-2-9(6-10)14-8-17-12-5-4-11(16)7-13(12)18-14/h1-7,14,17H,8H2
InChIKeyWJZLJCVMNOEEJP-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 81429876) is 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1cccc(C2CNc3ccc(Cl)cc3O2)c1.
What is the InChIKey of 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is WJZLJCVMNOEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-10-3-1-2-9(6-10)14-8-17-12-5-4-11(16)7-13(12)18-14/h1-7,14,17H,8H2.
What are the key properties of 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 280.15 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81429876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).