2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide

C21H16F3N3O4 — CID 11212599

IUPAC2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H16F3N3O4/c1-30-18-6-5-14(21(22,23)24)12-17(18)20(29)27-26-19(28)13-3-2-4-16(11-13)31-15-7-9-25-10-8-15/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeySLCMKANQOWOFQV-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.98
Rot. Bonds5

About 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide

2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide (PubChem CID 11212599) has the molecular formula C21H16F3N3O4 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
PubChem CID11212599
Molecular FormulaC21H16F3N3O4
Molecular Weight431.37 g/mol
Exact Mass431.11
IUPAC Name2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H16F3N3O4/c1-30-18-6-5-14(21(22,23)24)12-17(18)20(29)27-26-19(28)13-3-2-4-16(11-13)31-15-7-9-25-10-8-15/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeySLCMKANQOWOFQV-UHFFFAOYSA-N
XLogP3.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.98
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-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 27019353
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 11441514
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide?
The IUPAC name of 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide (CID 11212599) is 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide is COc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide?
The InChIKey is SLCMKANQOWOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4/c1-30-18-6-5-14(21(22,23)24)12-17(18)20(29)27-26-19(28)13-3-2-4-16(11-13)31-15-7-9-25-10-8-15/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide?
2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide has a molecular weight of 431.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 11212599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).