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

C14H11Cl2NO — CID 44541339

IUPAC6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(c1ccccc1Cl)CO2
InChIInChI=1S/C14H11Cl2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2
InChIKeyAINYNDCDMUDCKK-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.35
Rot. Bonds1

About 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine

6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 44541339) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID44541339
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(c1ccccc1Cl)CO2
InChIInChI=1S/C14H11Cl2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2
InChIKeyAINYNDCDMUDCKK-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 543980
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
6-Chloro-3-(4-sec-butylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52942703
6-Chloro-3-(4-isopropylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52943880
6-Chloro-3-(4-ethylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52947453
6-chloro-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 707548
3-Phenyl-3,4-dihydro-2H-1,3-benzoxazine
CID 352915
2H-1,3-Benzoxazine, 6-chloro-3,4-dihydro-3-phenyl-
CID 521357
6-Chloro-3,4-dihydro-3-(phenylmethyl)-2H-1,3-benzoxazine
CID 562369
6-Chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
CID 4124439
3-(4-Butylphenyl)-6-chloro-1,3-benzoxazine-2,4-dithione
CID 52945140
6-fluoro-3-(2-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 712157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine (CID 44541339) is 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine is Clc1ccc2c(c1)CN(c1ccccc1Cl)CO2.
What is the InChIKey of 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is AINYNDCDMUDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2.
What are the key properties of 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 280.15 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 6-chloro-3-(2-chlorophenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 44541339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).