N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide

C20H13ClF3N3O3 — CID 141370066

IUPACN'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(10-15(16)20(22,23)24)18(28)26-27-19(29)17-11-14(8-9-25-17)30-13-4-2-1-3-5-13/h1-11H,(H,26,28)(H,27,29)
InChIKeyAIMMRZMBIJIVJZ-UHFFFAOYSA-N
MW435.79 g/mol
LogP4.62
Rot. Bonds4

About N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide

N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide (PubChem CID 141370066) has the molecular formula C20H13ClF3N3O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
PubChem CID141370066
Molecular FormulaC20H13ClF3N3O3
Molecular Weight435.79 g/mol
Exact Mass435.06
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(10-15(16)20(22,23)24)18(28)26-27-19(29)17-11-14(8-9-25-17)30-13-4-2-1-3-5-13/h1-11H,(H,26,28)(H,27,29)
InChIKeyAIMMRZMBIJIVJZ-UHFFFAOYSA-N
XLogP4.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86566353
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[(4-fluorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566552
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566581
[4-[[[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carbonyl]amino]carbamoyl]phenyl] acetate
CID 86566578
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[(5-fluoropyridine-3-carbonyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566491
1-[4-[[2-[[[2-(2-chlorophenyl)acetyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86567237
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(1-phenylethylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 74538902
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
CID 141350540
4-chloro-N-[2-[3-[[2-(N,N'-dimethylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 59685045
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide (CID 141370066) is N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide is O=C(NNC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide?
The InChIKey is AIMMRZMBIJIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(10-15(16)20(22,23)24)18(28)26-27-19(29)17-11-14(8-9-25-17)30-13-4-2-1-3-5-13/h1-11H,(H,26,28)(H,27,29).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide?
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide has a molecular weight of 435.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide is sourced from PubChem (CID 141370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).