4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide

C14H9BrClN3O4 — CID 8913316

IUPAC4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9BrClN3O4/c15-11-5-4-9(7-12(11)19(22)23)14(21)18-17-13(20)8-2-1-3-10(16)6-8/h1-7H,(H,17,20)(H,18,21)
InChIKeyREKMZPCKUFLOLC-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.09
Rot. Bonds3

About 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide

4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide (PubChem CID 8913316) has the molecular formula C14H9BrClN3O4 and a molecular weight of 398.60 g/mol. Its IUPAC name is 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
PubChem CID8913316
Molecular FormulaC14H9BrClN3O4
Molecular Weight398.60 g/mol
Exact Mass396.95
IUPAC Name4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9BrClN3O4/c15-11-5-4-9(7-12(11)19(22)23)14(21)18-17-13(20)8-2-1-3-10(16)6-8/h1-7H,(H,17,20)(H,18,21)
InChIKeyREKMZPCKUFLOLC-UHFFFAOYSA-N
XLogP3.09
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide (CID 8913316) is 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide is O=C(NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide?
The InChIKey is REKMZPCKUFLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O4/c15-11-5-4-9(7-12(11)19(22)23)14(21)18-17-13(20)8-2-1-3-10(16)6-8/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide?
4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide has a molecular weight of 398.60 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 8913316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).