5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide

C12H11ClF3NO2 — CID 175813709

IUPAC5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
SMILESCCOC=Cc1cc(C(F)(F)F)c(Cl)cc1C(N)=O
InChIInChI=1S/C12H11ClF3NO2/c1-2-19-4-3-7-5-9(12(14,15)16)10(13)6-8(7)11(17)18/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyCAJKQUFSRYRKFZ-UHFFFAOYSA-N
MW293.67 g/mol
LogP3.46
Rot. Bonds4

About 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide

5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide (PubChem CID 175813709) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
PubChem CID175813709
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
SMILESCCOC=Cc1cc(C(F)(F)F)c(Cl)cc1C(N)=O
InChIInChI=1S/C12H11ClF3NO2/c1-2-19-4-3-7-5-9(12(14,15)16)10(13)6-8(7)11(17)18/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyCAJKQUFSRYRKFZ-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
5-amino-2-chloro-4-(trifluoromethyl)benzamide
CID 131460554
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 5-formyl-2,4-bis(trifluoromethyl)benzoate
CID 134638706
ethyl 2-chloro-3-fluoro-4-(trifluoromethyl)benzoate
CID 146277617
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide (CID 175813709) is 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide is CCOC=Cc1cc(C(F)(F)F)c(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CAJKQUFSRYRKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c1-2-19-4-3-7-5-9(12(14,15)16)10(13)6-8(7)11(17)18/h3-6H,2H2,1H3,(H2,17,18).
What are the key properties of 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide?
5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 293.67 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175813709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).