4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid

C24H18F3NO4 — CID 175252681

IUPAC4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESCOc1ccccc1/C=C/c1ccc(C(=O)O)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H18F3NO4/c1-32-21-5-3-2-4-16(21)8-6-15-7-13-19(23(30)31)20(14-15)28-22(29)17-9-11-18(12-10-17)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)/b8-6+
InChIKeyQOKJYHWOPIUIEY-SOFGYWHQSA-N
MW441.41 g/mol
LogP5.83
Rot. Bonds6

About 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid

4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid (PubChem CID 175252681) has the molecular formula C24H18F3NO4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
PubChem CID175252681
Molecular FormulaC24H18F3NO4
Molecular Weight441.41 g/mol
Exact Mass441.12
IUPAC Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESCOc1ccccc1/C=C/c1ccc(C(=O)O)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H18F3NO4/c1-32-21-5-3-2-4-16(21)8-6-15-7-13-19(23(30)31)20(14-15)28-22(29)17-9-11-18(12-10-17)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)/b8-6+
InChIKeyQOKJYHWOPIUIEY-SOFGYWHQSA-N
XLogP5.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid 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

4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
CID 69093707
2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
CID 174534912
tert-butyl 2-benzamido-4-[(E)-2-(2-hydroxyphenyl)ethenyl]benzenecarboperoxoate
CID 174534950
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
2-[[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
CID 9321006
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 2349234
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
4-[3-[(4-phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 72836395
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid (CID 175252681) is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid is COc1ccccc1/C=C/c1ccc(C(=O)O)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The InChIKey is QOKJYHWOPIUIEY-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H18F3NO4/c1-32-21-5-3-2-4-16(21)8-6-15-7-13-19(23(30)31)20(14-15)28-22(29)17-9-11-18(12-10-17)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)/b8-6+.
What are the key properties of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid has a molecular weight of 441.41 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 175252681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).