2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C23H19BrF4N4O3 — CID 126101057

IUPAC2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19BrF4N4O3/c1-2-34-19-9-14(11-30-32-21-8-3-15(12-29-21)23(26,27)28)18(24)10-20(19)35-13-22(33)31-17-6-4-16(25)5-7-17/h3-12H,2,13H2,1H3,(H,29,32)(H,31,33)/b30-11-
InChIKeyFLIIHDMACMTUPS-OHUIHDMLSA-N
MW555.33 g/mol
LogP5.86
Rot. Bonds9

About 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 126101057) has the molecular formula C23H19BrF4N4O3 and a molecular weight of 555.33 g/mol. Its IUPAC name is 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID126101057
Molecular FormulaC23H19BrF4N4O3
Molecular Weight555.33 g/mol
Exact Mass554.06
IUPAC Name2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19BrF4N4O3/c1-2-34-19-9-14(11-30-32-21-8-3-15(12-29-21)23(26,27)28)18(24)10-20(19)35-13-22(33)31-17-6-4-16(25)5-7-17/h3-12H,2,13H2,1H3,(H,29,32)(H,31,33)/b30-11-
InChIKeyFLIIHDMACMTUPS-OHUIHDMLSA-N
XLogP5.86
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.33
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide 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-[2-ethoxy-6-iodo-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 126112142
2-[2-methoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126109798
2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
N-[(E)-[2-bromo-5-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126023586
N-[(E)-(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249707
2-[5-bromo-2-ethoxy-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 126235371
2-[5-bromo-2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4997468
2-[5-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126321671
N-[[4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4651004
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383375
3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698
ethyl 2-[2-iodo-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126114474

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 126101057) is 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is FLIIHDMACMTUPS-OHUIHDMLSA-N. The full InChI is InChI=1S/C23H19BrF4N4O3/c1-2-34-19-9-14(11-30-32-21-8-3-15(12-29-21)23(26,27)28)18(24)10-20(19)35-13-22(33)31-17-6-4-16(25)5-7-17/h3-12H,2,13H2,1H3,(H,29,32)(H,31,33)/b30-11-.
What are the key properties of 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 555.33 g/mol, XLogP of 5.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-ethoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126101057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).