2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one

C19H14ClF2NO4 — CID 9035275

IUPAC2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)ccc1OC(F)F
InChIInChI=1S/C19H14ClF2NO4/c1-2-25-16-10-11(7-8-15(16)26-19(21)22)9-13(20)17-23-14-6-4-3-5-12(14)18(24)27-17/h3-10,19H,2H2,1H3/b13-9-
InChIKeyOUCKIQZDUIDEAB-LCYFTJDESA-N
MW393.77 g/mol
LogP4.93
Rot. Bonds6

About 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one (PubChem CID 9035275) has the molecular formula C19H14ClF2NO4 and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one
PubChem CID9035275
Molecular FormulaC19H14ClF2NO4
Molecular Weight393.77 g/mol
Exact Mass393.06
IUPAC Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)ccc1OC(F)F
InChIInChI=1S/C19H14ClF2NO4/c1-2-25-16-10-11(7-8-15(16)26-19(21)22)9-13(20)17-23-14-6-4-3-5-12(14)18(24)27-17/h3-10,19H,2H2,1H3/b13-9-
InChIKeyOUCKIQZDUIDEAB-LCYFTJDESA-N
XLogP4.93
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one
CID 9035263
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 9035122
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-3,1-benzoxazin-4-one
CID 51346976
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032189
2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,1-benzoxazin-4-one
CID 9034901
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
CID 8814981
2-[(Z)-1-chloro-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574151
4-[2-(bromomethyl)-3-methylbut-1-enyl]-1-(difluoromethoxy)-2-ethoxybenzene
CID 79323633
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-3-methylbutanal
CID 79335188
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 135601562
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135612820

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one (CID 9035275) is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one is CCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)ccc1OC(F)F.
What is the InChIKey of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one?
The InChIKey is OUCKIQZDUIDEAB-LCYFTJDESA-N. The full InChI is InChI=1S/C19H14ClF2NO4/c1-2-25-16-10-11(7-8-15(16)26-19(21)22)9-13(20)17-23-14-6-4-3-5-12(14)18(24)27-17/h3-10,19H,2H2,1H3/b13-9-.
What are the key properties of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one?
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one has a molecular weight of 393.77 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 9035275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).