N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide

C14H10ClN3O4 — CID 5234790

IUPACN'-(4-chlorobenzoyl)-2-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyDWSZETYWEVWZRK-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.32
Rot. Bonds3

About N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide

N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide (PubChem CID 5234790) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-nitrobenzohydrazide
PubChem CID5234790
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN'-(4-chlorobenzoyl)-2-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyDWSZETYWEVWZRK-UHFFFAOYSA-N
XLogP2.32
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.32
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 N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide (CID 5234790) is N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide?
The InChIKey is DWSZETYWEVWZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide?
N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide has a molecular weight of 319.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 5234790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).