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

C20H13ClF3N3O3 — CID 11189772

IUPAC4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H13ClF3N3O3/c21-17-8-5-13(10-16(17)20(22,23)24)19(29)27-26-18(28)12-3-6-14(7-4-12)30-15-2-1-9-25-11-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyZZXNNPLYACEDOG-UHFFFAOYSA-N
MW435.79 g/mol
LogP4.62
Rot. Bonds4

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

4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 11189772) has the molecular formula C20H13ClF3N3O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID11189772
Molecular FormulaC20H13ClF3N3O3
Molecular Weight435.79 g/mol
Exact Mass435.06
IUPAC Name4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H13ClF3N3O3/c21-17-8-5-13(10-16(17)20(22,23)24)19(29)27-26-18(28)12-3-6-14(7-4-12)30-15-2-1-9-25-11-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyZZXNNPLYACEDOG-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide (CID 11189772) is 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is ZZXNNPLYACEDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O3/c21-17-8-5-13(10-16(17)20(22,23)24)19(29)27-26-18(28)12-3-6-14(7-4-12)30-15-2-1-9-25-11-15/h1-11H,(H,26,28)(H,27,29).
What are the key properties of 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide?
4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide 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 4-chloro-N'-(4-pyridin-3-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 11189772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).