N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide

C23H19ClN2O3 — CID 4937960

IUPACN'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
SMILESO=C(C=Cc1ccccc1Cl)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19ClN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)19-11-5-7-13-21(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28)
InChIKeyIXWOMYYBFSSMHE-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.39
Rot. Bonds6

About N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide

N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide (PubChem CID 4937960) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
PubChem CID4937960
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
SMILESO=C(C=Cc1ccccc1Cl)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19ClN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)19-11-5-7-13-21(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28)
InChIKeyIXWOMYYBFSSMHE-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide (CID 4937960) is N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide is O=C(C=Cc1ccccc1Cl)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide?
The InChIKey is IXWOMYYBFSSMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)19-11-5-7-13-21(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide?
N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide has a molecular weight of 406.87 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4937960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).