2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide

C20H19F3N2O3 — CID 87691894

IUPAC2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(C)c(C#N)c(C(=O)N(C)c2cccc(C(F)(F)F)c2)c(C)c1OC
InChIInChI=1S/C20H19F3N2O3/c1-11-15(10-24)16(12(2)18(28-5)17(11)27-4)19(26)25(3)14-8-6-7-13(9-14)20(21,22)23/h6-9H,1-5H3
InChIKeyGJBYZFYIAPKXNV-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.49
Rot. Bonds4

About 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide

2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 87691894) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID87691894
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(C)c(C#N)c(C(=O)N(C)c2cccc(C(F)(F)F)c2)c(C)c1OC
InChIInChI=1S/C20H19F3N2O3/c1-11-15(10-24)16(12(2)18(28-5)17(11)27-4)19(26)25(3)14-8-6-7-13(9-14)20(21,22)23/h6-9H,1-5H3
InChIKeyGJBYZFYIAPKXNV-UHFFFAOYSA-N
XLogP4.49
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676573
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
CID 6622004
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
N-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 102120901

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 87691894) is 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide is COc1c(C)c(C#N)c(C(=O)N(C)c2cccc(C(F)(F)F)c2)c(C)c1OC.
What is the InChIKey of 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GJBYZFYIAPKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-11-15(10-24)16(12(2)18(28-5)17(11)27-4)19(26)25(3)14-8-6-7-13(9-14)20(21,22)23/h6-9H,1-5H3.
What are the key properties of 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 87691894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).