N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide

C22H19ClN2O3 — CID 19628253

IUPACN'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O3/c23-19-12-6-4-10-17(19)21(26)24-25-22(27)18-11-5-7-13-20(18)28-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyORYSJTXAEVRTKD-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.04
Rot. Bonds6

About N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide

N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide (PubChem CID 19628253) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
PubChem CID19628253
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O3/c23-19-12-6-4-10-17(19)21(26)24-25-22(27)18-11-5-7-13-20(18)28-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyORYSJTXAEVRTKD-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dichlorophenyl)-2-(2-phenylethoxy)benzamide
CID 54785858
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
CID 19628130
2-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 4931749
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(2-phenylethoxy)-N-(pyrrolidine-1-carbothioyl)benzamide
CID 19628425
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide
CID 19628412
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide (CID 19628253) is N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide is O=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide?
The InChIKey is ORYSJTXAEVRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-19-12-6-4-10-17(19)21(26)24-25-22(27)18-11-5-7-13-20(18)28-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide?
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide has a molecular weight of 394.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 19628253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).