6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one

C12H13Cl2NO2 — CID 69261698

IUPAC6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCc1c(Cl)cc2c(c1Cl)OC(C(C)C)C(=O)N2
InChIInChI=1S/C12H13Cl2NO2/c1-5(2)10-12(16)15-8-4-7(13)6(3)9(14)11(8)17-10/h4-5,10H,1-3H3,(H,15,16)
InChIKeyPAEWLXXRUCACIH-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.66
Rot. Bonds1

About 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one

6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 69261698) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID69261698
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCc1c(Cl)cc2c(c1Cl)OC(C(C)C)C(=O)N2
InChIInChI=1S/C12H13Cl2NO2/c1-5(2)10-12(16)15-8-4-7(13)6(3)9(14)11(8)17-10/h4-5,10H,1-3H3,(H,15,16)
InChIKeyPAEWLXXRUCACIH-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R,S)-2-(2,4-dichloro-m-tolyloxy)propionanilide
CID 93482
6,8-Dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one
CID 50878739
N-(3,5-Dichloro-4-ethyl-2-hydroxyphenyl)-2-(3-pentadecylphenoxy)butanamide
CID 15606885
2-(2,4-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 668134
Butanamide, N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-pentadecylphenoxy)-
CID 91811
N-(3-Chloro-4-methylphenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 24212638
N-(3-Chloro-2-methylphenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 24212641
N-(4-Methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 24212646
N-(3-Chloro-4-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 24212651
N-(3-Chloro-2-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 24212659
N-(3-chloro-4-methylphenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 295328
N-(3-chloro-4-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 50823232

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 69261698) is 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one is Cc1c(Cl)cc2c(c1Cl)OC(C(C)C)C(=O)N2.
What is the InChIKey of 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is PAEWLXXRUCACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-5(2)10-12(16)15-8-4-7(13)6(3)9(14)11(8)17-10/h4-5,10H,1-3H3,(H,15,16).
What are the key properties of 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 274.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 69261698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).