3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one

C20H12Cl2N2O2 — CID 10500149

IUPAC3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one
SMILESO=c1c2ccccc2o/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-13-5-9-15(10-6-13)23-20-24(16-11-7-14(22)8-12-16)19(25)17-3-1-2-4-18(17)26-20/h1-12H/b23-20-
InChIKeyVSHMQGAHAKYPOZ-ATJXCDBQSA-N
MW383.23 g/mol
LogP5.12
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one

3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one (PubChem CID 10500149) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one
PubChem CID10500149
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one
SMILESO=c1c2ccccc2o/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-13-5-9-15(10-6-13)23-20-24(16-11-7-14(22)8-12-16)19(25)17-3-1-2-4-18(17)26-20/h1-12H/b23-20-
InChIKeyVSHMQGAHAKYPOZ-ATJXCDBQSA-N
XLogP5.12
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one
CID 23993009
3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
CID 14867409
3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
CID 138754408
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 138585225
3-(4-chlorophenyl)-2-[di(propan-2-yl)amino]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 91331307
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
CID 86039228
3-(4-chlorophenyl)sulfonyl-4-hydroxychromen-2-one
CID 100945200
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
bis(N-(4-chlorophenyl)chromen-2-imine);nickel
CID 6517634
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one (CID 10500149) is 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one is O=c1c2ccccc2o/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one?
The InChIKey is VSHMQGAHAKYPOZ-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-13-5-9-15(10-6-13)23-20-24(16-11-7-14(22)8-12-16)19(25)17-3-1-2-4-18(17)26-20/h1-12H/b23-20-.
What are the key properties of 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one?
3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one has a molecular weight of 383.23 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one is sourced from PubChem (CID 10500149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).