(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide

C19H16F3NO3 — CID 8865341

IUPAC(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccc(/C=C(\C(C)=O)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3NO3/c1-12(24)15(11-13-7-9-14(26-2)10-8-13)18(25)23-17-6-4-3-5-16(17)19(20,21)22/h3-11H,1-2H3,(H,23,25)/b15-11+
InChIKeyCSAWUXJGKVEDBB-RVDMUPIBSA-N
MW363.34 g/mol
LogP4.33
Rot. Bonds5

About (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide

(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 8865341) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID8865341
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccc(/C=C(\C(C)=O)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3NO3/c1-12(24)15(11-13-7-9-14(26-2)10-8-13)18(25)23-17-6-4-3-5-16(17)19(20,21)22/h3-11H,1-2H3,(H,23,25)/b15-11+
InChIKeyCSAWUXJGKVEDBB-RVDMUPIBSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide 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

(E)-2-cyano-3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 729037
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865392
(2E)-3-oxo-2-(thiophen-3-ylmethylidene)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865458
(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865538
(2E)-3-oxo-2-(thiophen-2-ylmethylidene)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865261
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
(2E)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 9187496
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide (CID 8865341) is (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide is COc1ccc(/C=C(\C(C)=O)C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is CSAWUXJGKVEDBB-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-12(24)15(11-13-7-9-14(26-2)10-8-13)18(25)23-17-6-4-3-5-16(17)19(20,21)22/h3-11H,1-2H3,(H,23,25)/b15-11+.
What are the key properties of (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide?
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 363.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 8865341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).