N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide

C19H14F3N3O2 — CID 4807808

IUPACN'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)15-9-3-1-7-13(15)17(26)23-24-18(27)14-8-2-4-10-16(14)25-11-5-6-12-25/h1-12H,(H,23,26)(H,24,27)
InChIKeyYZVLGSQHAHXFAF-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.57
Rot. Bonds3

About N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide

N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide (PubChem CID 4807808) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
PubChem CID4807808
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)15-9-3-1-7-13(15)17(26)23-24-18(27)14-8-2-4-10-16(14)25-11-5-6-12-25/h1-12H,(H,23,26)(H,24,27)
InChIKeyYZVLGSQHAHXFAF-UHFFFAOYSA-N
XLogP3.57
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
1-cyclopropyl-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 4774855
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 39951306
4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 166394212
2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
CID 7996121
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
CID 9314038
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]butan-2-yl]benzamide
CID 29266182

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide (CID 4807808) is N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccc1.
What is the InChIKey of N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide?
The InChIKey is YZVLGSQHAHXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)15-9-3-1-7-13(15)17(26)23-24-18(27)14-8-2-4-10-16(14)25-11-5-6-12-25/h1-12H,(H,23,26)(H,24,27).
What are the key properties of N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide?
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide has a molecular weight of 373.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 4807808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).