N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide

C19H17N3O2 — CID 1481245

IUPACN'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1
InChIInChI=1S/C19H17N3O2/c1-14-7-6-8-15(13-14)18(23)20-21-19(24)16-9-2-3-10-17(16)22-11-4-5-12-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyXEWFPDPJRRQGQY-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.86
Rot. Bonds3

About N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide

N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide (PubChem CID 1481245) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
PubChem CID1481245
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1
InChIInChI=1S/C19H17N3O2/c1-14-7-6-8-15(13-14)18(23)20-21-19(24)16-9-2-3-10-17(16)22-11-4-5-12-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyXEWFPDPJRRQGQY-UHFFFAOYSA-N
XLogP2.86
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.86
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

3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
2-benzyl-N'-(3-methylbenzoyl)benzohydrazide
CID 44594095
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314013
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
1-(4-ethylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 7988164

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide (CID 1481245) is N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1.
What is the InChIKey of N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is XEWFPDPJRRQGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-7-6-8-15(13-14)18(23)20-21-19(24)16-9-2-3-10-17(16)22-11-4-5-12-22/h2-13H,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 319.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 1481245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).