N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide

C18H15F3N2O4 — CID 55710580

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1
InChIInChI=1S/C18H15F3N2O4/c1-25-13-4-6-16(26-2)14(8-13)17(24)23-12-3-5-15(11(7-12)9-22)27-10-18(19,20)21/h3-8H,10H2,1-2H3,(H,23,24)
InChIKeyWUSDJXAFGIROTN-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.77
Rot. Bonds6

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide (PubChem CID 55710580) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
PubChem CID55710580
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1
InChIInChI=1S/C18H15F3N2O4/c1-25-13-4-6-16(26-2)14(8-13)17(24)23-12-3-5-15(11(7-12)9-22)27-10-18(19,20)21/h3-8H,10H2,1-2H3,(H,23,24)
InChIKeyWUSDJXAFGIROTN-UHFFFAOYSA-N
XLogP3.77
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
(E)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 98797706
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
CID 55743956
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55725083
(E)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55711743
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55710835
4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46487287
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55710724
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 55710758

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide (CID 55710580) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide?
The InChIKey is WUSDJXAFGIROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c1-25-13-4-6-16(26-2)14(8-13)17(24)23-12-3-5-15(11(7-12)9-22)27-10-18(19,20)21/h3-8H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide has a molecular weight of 380.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 55710580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).