N'-acridin-9-yl-2-chlorobenzohydrazide

C20H14ClN3O — CID 3138573

IUPACN'-acridin-9-yl-2-chlorobenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3O/c21-16-10-4-1-7-13(16)20(25)24-23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-12H,(H,22,23)(H,24,25)
InChIKeyRMVADNOEDAVJPA-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.80
Rot. Bonds3

About N'-acridin-9-yl-2-chlorobenzohydrazide

N'-acridin-9-yl-2-chlorobenzohydrazide (PubChem CID 3138573) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is N'-acridin-9-yl-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-2-chlorobenzohydrazide
PubChem CID3138573
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC NameN'-acridin-9-yl-2-chlorobenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3O/c21-16-10-4-1-7-13(16)20(25)24-23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-12H,(H,22,23)(H,24,25)
InChIKeyRMVADNOEDAVJPA-UHFFFAOYSA-N
XLogP4.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-2-chlorobenzohydrazide?
The IUPAC name of N'-acridin-9-yl-2-chlorobenzohydrazide (CID 3138573) is N'-acridin-9-yl-2-chlorobenzohydrazide.
What is the SMILES notation for N'-acridin-9-yl-2-chlorobenzohydrazide?
The canonical SMILES for N'-acridin-9-yl-2-chlorobenzohydrazide is O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1Cl.
What is the InChIKey of N'-acridin-9-yl-2-chlorobenzohydrazide?
The InChIKey is RMVADNOEDAVJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-10-4-1-7-13(16)20(25)24-23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-12H,(H,22,23)(H,24,25).
What are the key properties of N'-acridin-9-yl-2-chlorobenzohydrazide?
N'-acridin-9-yl-2-chlorobenzohydrazide has a molecular weight of 347.81 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-2-chlorobenzohydrazide is sourced from PubChem (CID 3138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).