6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione

C15H9Cl2NO3 — CID 946968

IUPAC6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c1-8-2-4-10(7-12(8)17)18-14(19)11-6-9(16)3-5-13(11)21-15(18)20/h2-7H,1H3
InChIKeyNXTXLQLMWIKZBZ-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.56
Rot. Bonds1

About 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione

6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione (PubChem CID 946968) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione
PubChem CID946968
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c1-8-2-4-10(7-12(8)17)18-14(19)11-6-9(16)3-5-13(11)21-15(18)20/h2-7H,1H3
InChIKeyNXTXLQLMWIKZBZ-UHFFFAOYSA-N
XLogP3.56
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
CID 11067824
3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
CID 11747669
6-chloro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
CID 71591739
3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
CID 138754408
3-amino-2-(3-chloro-4-methylphenyl)isoquinolin-1-one
CID 43341031
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
3-(4-butan-2-ylphenyl)-6-chloro-4-sulfanylidene-1,3-benzoxazin-2-one
CID 52942500
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
3-(3-chloro-4-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 81445596
7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853600
1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 646296

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione (CID 946968) is 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione is Cc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1Cl.
What is the InChIKey of 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The InChIKey is NXTXLQLMWIKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c1-8-2-4-10(7-12(8)17)18-14(19)11-6-9(16)3-5-13(11)21-15(18)20/h2-7H,1H3.
What are the key properties of 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione?
6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione has a molecular weight of 322.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 946968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).