6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H10Cl3NO — CID 107676510

IUPAC6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc(C2CNc3cc(Cl)cc(Cl)c3O2)c1
InChIInChI=1S/C14H10Cl3NO/c15-9-3-1-2-8(4-9)13-7-18-12-6-10(16)5-11(17)14(12)19-13/h1-6,13,18H,7H2
InChIKeyMOJJAPXLTIAYQI-UHFFFAOYSA-N
MW314.60 g/mol
LogP5.19
Rot. Bonds1

About 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 107676510) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID107676510
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc(C2CNc3cc(Cl)cc(Cl)c3O2)c1
InChIInChI=1S/C14H10Cl3NO/c15-9-3-1-2-8(4-9)13-7-18-12-6-10(16)5-11(17)14(12)19-13/h1-6,13,18H,7H2
InChIKeyMOJJAPXLTIAYQI-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-2-thiophen-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 107676538
6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676512
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429876
6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676458
4,6-dichloro-2-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 4621294
5-(3-chlorophenyl)-1,3-oxazolidine
CID 15261641
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017960
8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81433582
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
CID 82282088

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 107676510) is 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1cccc(C2CNc3cc(Cl)cc(Cl)c3O2)c1.
What is the InChIKey of 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is MOJJAPXLTIAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c15-9-3-1-2-8(4-9)13-7-18-12-6-10(16)5-11(17)14(12)19-13/h1-6,13,18H,7H2.
What are the key properties of 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 314.60 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 107676510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).