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

C14H11Cl2NO — CID 81430931

IUPAC7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OC(c1ccccc1Cl)CN2
InChIInChI=1S/C14H11Cl2NO/c15-9-5-6-12-13(7-9)18-14(8-17-12)10-3-1-2-4-11(10)16/h1-7,14,17H,8H2
InChIKeyRYISNQZZWUHZJC-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.54
Rot. Bonds1

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

7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81430931) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81430931
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OC(c1ccccc1Cl)CN2
InChIInChI=1S/C14H11Cl2NO/c15-9-5-6-12-13(7-9)18-14(8-17-12)10-3-1-2-4-11(10)16/h1-7,14,17H,8H2
InChIKeyRYISNQZZWUHZJC-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-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 81430931) is 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc2c(c1)OC(c1ccccc1Cl)CN2.
What is the InChIKey of 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RYISNQZZWUHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-9-5-6-12-13(7-9)18-14(8-17-12)10-3-1-2-4-11(10)16/h1-7,14,17H,8H2.
What are the key properties of 7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
7-chloro-2-(2-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-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81430931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).