2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one

C19H14ClF2NO3 — CID 9035263

IUPAC2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one
SMILESCc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)cc(C)c1OC(F)F
InChIInChI=1S/C19H14ClF2NO3/c1-10-7-12(8-11(2)16(10)25-19(21)22)9-14(20)17-23-15-6-4-3-5-13(15)18(24)26-17/h3-9,19H,1-2H3/b14-9-
InChIKeyYNSYKNSGAXWMID-ZROIWOOFSA-N
MW377.77 g/mol
LogP5.14
Rot. Bonds4

About 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one (PubChem CID 9035263) has the molecular formula C19H14ClF2NO3 and a molecular weight of 377.77 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one
PubChem CID9035263
Molecular FormulaC19H14ClF2NO3
Molecular Weight377.77 g/mol
Exact Mass377.06
IUPAC Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one
SMILESCc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)cc(C)c1OC(F)F
InChIInChI=1S/C19H14ClF2NO3/c1-10-7-12(8-11(2)16(10)25-19(21)22)9-14(20)17-23-15-6-4-3-5-13(15)18(24)26-17/h3-9,19H,1-2H3/b14-9-
InChIKeyYNSYKNSGAXWMID-ZROIWOOFSA-N
XLogP5.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.77
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one
CID 9035275
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,1-benzoxazin-4-one
CID 9034901
2-[(Z)-1-chloro-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574151
2-[(Z)-2-(7-bromo-1,3-benzodioxol-5-yl)-1-chloroethenyl]-3,1-benzoxazin-4-one
CID 9035164
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 9035122
2-[(Z)-1-chloro-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135938950
2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-3,1-benzoxazin-4-one
CID 51346976
2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
CID 9039150
2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 137270114
4-methylquinoline-2-carbaldehyde
CID 12735795
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one (CID 9035263) is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one is Cc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)cc(C)c1OC(F)F.
What is the InChIKey of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one?
The InChIKey is YNSYKNSGAXWMID-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H14ClF2NO3/c1-10-7-12(8-11(2)16(10)25-19(21)22)9-14(20)17-23-15-6-4-3-5-13(15)18(24)26-17/h3-9,19H,1-2H3/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one?
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one has a molecular weight of 377.77 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 9035263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).