4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

C15H18F3NO3 — CID 51094536

IUPAC4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-4-8-19(10-15(16,17)18)14(20)11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKeyVUEVYXFFXNUUMB-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.28
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51094536) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51094536
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-4-8-19(10-15(16,17)18)14(20)11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKeyVUEVYXFFXNUUMB-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)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

3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 55661909
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856
3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 113226067

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (CID 51094536) is 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is C=CCN(CC(F)(F)F)C(=O)c1ccc(OCC)c(OC)c1.
What is the InChIKey of 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VUEVYXFFXNUUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-4-8-19(10-15(16,17)18)14(20)11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9H,1,5,8,10H2,2-3H3.
What are the key properties of 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51094536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).