N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide

C14H13Cl2N3O3 — CID 86907899

IUPACN'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)c2cccn2C)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-19-5-3-4-11(19)14(21)18-17-13(20)8-6-9(15)12(22-2)10(16)7-8/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyQHYIFWXDACHNEO-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.42
Rot. Bonds3

About N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide

N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 86907899) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID86907899
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC NameN'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)c2cccn2C)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-19-5-3-4-11(19)14(21)18-17-13(20)8-6-9(15)12(22-2)10(16)7-8/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyQHYIFWXDACHNEO-UHFFFAOYSA-N
XLogP2.42
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 86907899) is N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)c2cccn2C)cc1Cl.
What is the InChIKey of N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is QHYIFWXDACHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-19-5-3-4-11(19)14(21)18-17-13(20)8-6-9(15)12(22-2)10(16)7-8/h3-7H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide?
N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 342.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 86907899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).