4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide

C20H13F4N3O3 — CID 11441514

IUPAC4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H13F4N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)19(29)27-26-18(28)12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyITLLLHHASHJPHZ-UHFFFAOYSA-N
MW419.33 g/mol
LogP4.11
Rot. Bonds4

About 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide

4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 11441514) has the molecular formula C20H13F4N3O3 and a molecular weight of 419.33 g/mol. Its IUPAC name is 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID11441514
Molecular FormulaC20H13F4N3O3
Molecular Weight419.33 g/mol
Exact Mass419.09
IUPAC Name4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H13F4N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)19(29)27-26-18(28)12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyITLLLHHASHJPHZ-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.11
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

3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
CID 65216860
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
1-[4-[[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86566353
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066
5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 11199849
4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747015
2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
CID 11212599
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[(4-fluorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566552
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide (CID 11441514) is 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is ITLLLHHASHJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)19(29)27-26-18(28)12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 419.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 11441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).