N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide

C19H17N3O3 — CID 24536054

IUPACN'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-17-10-6-15(7-11-17)19(24)21-20-18(23)14-4-8-16(9-5-14)22-12-2-3-13-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyRBQOSKVFDBAFAV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.56
Rot. Bonds4

About N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide

N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide (PubChem CID 24536054) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
PubChem CID24536054
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-17-10-6-15(7-11-17)19(24)21-20-18(23)14-4-8-16(9-5-14)22-12-2-3-13-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyRBQOSKVFDBAFAV-UHFFFAOYSA-N
XLogP2.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.56
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

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122262407
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide (CID 24536054) is N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide?
The InChIKey is RBQOSKVFDBAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-17-10-6-15(7-11-17)19(24)21-20-18(23)14-4-8-16(9-5-14)22-12-2-3-13-22/h2-13H,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide?
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide has a molecular weight of 335.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 24536054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).