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

C22H16F4N4O4 — CID 126114427

IUPACN-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1
InChIInChI=1S/C22H16F4N4O4/c23-16-6-8-17(9-7-16)28-21(31)13-34-20-4-2-1-3-14(20)12-27-29-18-10-5-15(22(24,25)26)11-19(18)30(32)33/h1-12,29H,13H2,(H,28,31)/b27-12-
InChIKeyVKPZPGCRYYWTGS-PPDIBHTLSA-N
MW476.39 g/mol
LogP5.22
Rot. Bonds8

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

N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 126114427) has the molecular formula C22H16F4N4O4 and a molecular weight of 476.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID126114427
Molecular FormulaC22H16F4N4O4
Molecular Weight476.39 g/mol
Exact Mass476.11
IUPAC NameN-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1
InChIInChI=1S/C22H16F4N4O4/c23-16-6-8-17(9-7-16)28-21(31)13-34-20-4-2-1-3-14(20)12-27-29-18-10-5-15(22(24,25)26)11-19(18)30(32)33/h1-12,29H,13H2,(H,28,31)/b27-12-
InChIKeyVKPZPGCRYYWTGS-PPDIBHTLSA-N
XLogP5.22
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.39
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 126075903
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5165965
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3362785
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135678799
4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 6272901
3-[[2-(2-nitrophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167854
2,4-dibromo-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137129344
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
N-[(Z)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126103936

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide (CID 126114427) is N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide is O=C(COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is VKPZPGCRYYWTGS-PPDIBHTLSA-N. The full InChI is InChI=1S/C22H16F4N4O4/c23-16-6-8-17(9-7-16)28-21(31)13-34-20-4-2-1-3-14(20)12-27-29-18-10-5-15(22(24,25)26)11-19(18)30(32)33/h1-12,29H,13H2,(H,28,31)/b27-12-.
What are the key properties of N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 476.39 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126114427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).