3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate

C23H16F3N2O4- — CID 151676144

IUPAC3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
SMILESCC(=CC(=O)[O-])c1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C23H17F3N2O4/c1-14(12-21(29)30)15-2-9-19(10-3-15)32-20-11-4-16(13-27-20)22(31)28-18-7-5-17(6-8-18)23(24,25)26/h2-13H,1H3,(H,28,31)(H,29,30)/p-1
InChIKeyQZODKHTZNHHDTQ-UHFFFAOYSA-M
MW441.39 g/mol
LogP4.30
Rot. Bonds6

About 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate

3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate (PubChem CID 151676144) has the molecular formula C23H16F3N2O4- and a molecular weight of 441.39 g/mol. Its IUPAC name is 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate.

Molecular Properties

Compound Name3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
PubChem CID151676144
Molecular FormulaC23H16F3N2O4-
Molecular Weight441.39 g/mol
Exact Mass441.11
IUPAC Name3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
SMILESCC(=CC(=O)[O-])c1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C23H17F3N2O4/c1-14(12-21(29)30)15-2-9-19(10-3-15)32-20-11-4-16(13-27-20)22(31)28-18-7-5-17(6-8-18)23(24,25)26/h2-13H,1H3,(H,28,31)(H,29,30)/p-1
InChIKeyQZODKHTZNHHDTQ-UHFFFAOYSA-M
XLogP4.30
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate 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

N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 17499127
6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide
CID 146305828
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate?
The IUPAC name of 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate (CID 151676144) is 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate.
What is the SMILES notation for 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate?
The canonical SMILES for 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate is CC(=CC(=O)[O-])c1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1.
What is the InChIKey of 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate?
The InChIKey is QZODKHTZNHHDTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17F3N2O4/c1-14(12-21(29)30)15-2-9-19(10-3-15)32-20-11-4-16(13-27-20)22(31)28-18-7-5-17(6-8-18)23(24,25)26/h2-13H,1H3,(H,28,31)(H,29,30)/p-1.
What are the key properties of 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate?
3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate has a molecular weight of 441.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate is sourced from PubChem (CID 151676144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).