3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

C20H16F3N3O3 — CID 60605892

IUPAC3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)15-6-4-8-17(12-15)29-13-18(27)24-25-19(28)14-5-3-7-16(11-14)26-9-1-2-10-26/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyJJUWJMZILJPTPL-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.34
Rot. Bonds5

About 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (PubChem CID 60605892) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
PubChem CID60605892
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)15-6-4-8-17(12-15)29-13-18(27)24-25-19(28)14-5-3-7-16(11-14)26-9-1-2-10-26/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyJJUWJMZILJPTPL-UHFFFAOYSA-N
XLogP3.34
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.34
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

4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
N,N-dimethyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]carbamoyl]benzenesulfonamide
CID 2548184
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide
CID 18275527
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
CID 18228275
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (CID 60605892) is 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is JJUWJMZILJPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)15-6-4-8-17(12-15)29-13-18(27)24-25-19(28)14-5-3-7-16(11-14)26-9-1-2-10-26/h1-12H,13H2,(H,24,27)(H,25,28).
What are the key properties of 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 403.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 60605892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).