N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide

C22H18F3N3O4 — CID 43044114

IUPACN'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)19-11-6-16(12-26-19)21(30)28-27-20(29)14-32-18-9-7-17(8-10-18)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,28,30)
InChIKeyRBHNFBRATAMDBM-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.52
Rot. Bonds7

About N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide

N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 43044114) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID43044114
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC NameN'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)19-11-6-16(12-26-19)21(30)28-27-20(29)14-32-18-9-7-17(8-10-18)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,28,30)
InChIKeyRBHNFBRATAMDBM-UHFFFAOYSA-N
XLogP3.52
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 34569979
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-phenylmethoxybenzoic acid
CID 68896574
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
CID 100994103
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 43044114) is N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is RBHNFBRATAMDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c23-22(24,25)19-11-6-16(12-26-19)21(30)28-27-20(29)14-32-18-9-7-17(8-10-18)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 445.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 43044114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).