3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one

C22H14ClFN2O3 — CID 23993009

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one
SMILESO=C(Cn1c(=O)c2ccccc2o/c1=N\c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFN2O3/c23-15-7-5-14(6-8-15)19(27)13-26-21(28)18-3-1-2-4-20(18)29-22(26)25-17-11-9-16(24)10-12-17/h1-12H,13H2/b25-22-
InChIKeyRAUBWUGWLZBFDB-LVWGJNHUSA-N
MW408.82 g/mol
LogP4.50
Rot. Bonds4

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one

3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one (PubChem CID 23993009) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one
PubChem CID23993009
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one
SMILESO=C(Cn1c(=O)c2ccccc2o/c1=N\c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFN2O3/c23-15-7-5-14(6-8-15)19(27)13-26-21(28)18-3-1-2-4-20(18)29-22(26)25-17-11-9-16(24)10-12-17/h1-12H,13H2/b25-22-
InChIKeyRAUBWUGWLZBFDB-LVWGJNHUSA-N
XLogP4.50
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
CID 14867409
3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-benzoxazin-4-one
CID 10500149
3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 95332682
4-[2-(4-fluorophenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361713
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
CID 4253765
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714491
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
2-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]chromen-4-one
CID 10740213
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
CID 7111190
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
2-[3-(3-fluorophenyl)-4-oxochromen-2-yl]ethyl 4-chlorobenzoate
CID 90010398

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one (CID 23993009) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one is O=C(Cn1c(=O)c2ccccc2o/c1=N\c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one?
The InChIKey is RAUBWUGWLZBFDB-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-15-7-5-14(6-8-15)19(27)13-26-21(28)18-3-1-2-4-20(18)29-22(26)25-17-11-9-16(24)10-12-17/h1-12H,13H2/b25-22-.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one has a molecular weight of 408.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one is sourced from PubChem (CID 23993009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).