2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C17H16F3NO4 — CID 55474623

IUPAC2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1OC
InChIInChI=1S/C17H16F3NO4/c1-23-14-5-3-4-13(15(14)24-2)16(22)21-11-6-8-12(9-7-11)25-10-17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyMGZBRJMBHUUOPV-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.90
Rot. Bonds6

About 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 55474623) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID55474623
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1OC
InChIInChI=1S/C17H16F3NO4/c1-23-14-5-3-4-13(15(14)24-2)16(22)21-11-6-8-12(9-7-11)25-10-17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyMGZBRJMBHUUOPV-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)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

2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 55474623) is 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is MGZBRJMBHUUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-23-14-5-3-4-13(15(14)24-2)16(22)21-11-6-8-12(9-7-11)25-10-17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 355.31 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 55474623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).