4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide

C13H11Cl2N3O2 — CID 3802144

IUPAC4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN
InChIInChI=1S/C13H11Cl2N3O2/c1-18-6-7(4-11(18)13(20)17-16)12(19)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3,(H,17,20)
InChIKeyUYRNADNVNJEYCI-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.17
Rot. Bonds3

About 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide

4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 3802144) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID3802144
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN
InChIInChI=1S/C13H11Cl2N3O2/c1-18-6-7(4-11(18)13(20)17-16)12(19)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3,(H,17,20)
InChIKeyUYRNADNVNJEYCI-UHFFFAOYSA-N
XLogP2.17
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 3802144) is 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide is Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is UYRNADNVNJEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-18-6-7(4-11(18)13(20)17-16)12(19)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3,(H,17,20).
What are the key properties of 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 312.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 3802144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).