N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide

C23H18F4N4O5 — CID 126075903

IUPACN-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cccc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F4N4O5/c1-35-20-4-2-3-14(22(20)36-13-21(32)29-17-8-6-16(24)7-9-17)12-28-30-18-10-5-15(23(25,26)27)11-19(18)31(33)34/h2-12,30H,13H2,1H3,(H,29,32)/b28-12-
InChIKeyLFMFKDOVEXFYCO-NVJOKUIPSA-N
MW506.41 g/mol
LogP5.22
Rot. Bonds9

About N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide

N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 126075903) has the molecular formula C23H18F4N4O5 and a molecular weight of 506.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID126075903
Molecular FormulaC23H18F4N4O5
Molecular Weight506.41 g/mol
Exact Mass506.12
IUPAC NameN-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cccc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F4N4O5/c1-35-20-4-2-3-14(22(20)36-13-21(32)29-17-8-6-16(24)7-9-17)12-28-30-18-10-5-15(23(25,26)27)11-19(18)31(33)34/h2-12,30H,13H2,1H3,(H,29,32)/b28-12-
InChIKeyLFMFKDOVEXFYCO-NVJOKUIPSA-N
XLogP5.22
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 126114427
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126111855
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 7832414
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3910509
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[2-methoxy-4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]ethanone
CID 26058782
4-methoxy-2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135678800
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5165965
4-[[2-methoxy-4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126115288
2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126013668
methyl 2-[2-bromo-6-ethoxy-4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126112428

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide (CID 126075903) is N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide is COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is LFMFKDOVEXFYCO-NVJOKUIPSA-N. The full InChI is InChI=1S/C23H18F4N4O5/c1-35-20-4-2-3-14(22(20)36-13-21(32)29-17-8-6-16(24)7-9-17)12-28-30-18-10-5-15(23(25,26)27)11-19(18)31(33)34/h2-12,30H,13H2,1H3,(H,29,32)/b28-12-.
What are the key properties of N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 506.41 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126075903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).