2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone

C14H9Cl2NO2 — CID 10803696

IUPAC2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone
SMILESO=C(CCl)N1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2
InChIKeyBJLIPVCCUCPBHM-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.35
Rot. Bonds1

About 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone

2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone (PubChem CID 10803696) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone
PubChem CID10803696
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone
SMILESO=C(CCl)N1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2
InChIKeyBJLIPVCCUCPBHM-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone?
The IUPAC name of 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone (CID 10803696) is 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone is O=C(CCl)N1c2ccccc2Oc2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone?
The InChIKey is BJLIPVCCUCPBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2.
What are the key properties of 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone?
2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone has a molecular weight of 294.14 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone is sourced from PubChem (CID 10803696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).