3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione

C14H7Cl2NO3 — CID 138754408

IUPAC3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7Cl2NO3/c15-8-5-6-10(16)11(7-8)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H
InChIKeyDRRLUXNKOSAJTJ-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.25
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione

3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione (PubChem CID 138754408) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
PubChem CID138754408
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7Cl2NO3/c15-8-5-6-10(16)11(7-8)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H
InChIKeyDRRLUXNKOSAJTJ-UHFFFAOYSA-N
XLogP3.25
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one
CID 91608961
6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 946968
3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one
CID 10500149
6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
CID 11067824
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
3-cyclopentyl-1,3-benzoxazine-2,4-dione
CID 10331456
2-[3-(2,5-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 42805916
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
CID 153475776

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione (CID 138754408) is 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione is O=c1oc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione?
The InChIKey is DRRLUXNKOSAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-8-5-6-10(16)11(7-8)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H.
What are the key properties of 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione?
3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione has a molecular weight of 308.12 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 138754408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).