N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide

C21H17ClN2O3 — CID 31727117

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O3/c22-17-10-6-15(7-11-17)14-20(25)23-24-21(26)16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyRTZBMSHVFSGZCR-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.14
Rot. Bonds5

About N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide (PubChem CID 31727117) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
PubChem CID31727117
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O3/c22-17-10-6-15(7-11-17)14-20(25)23-24-21(26)16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyRTZBMSHVFSGZCR-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.14
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-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide 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'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
1-(4-chlorophenyl)-3-[(4-phenoxybenzoyl)amino]thiourea
CID 9469078
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N'-[2-(4-chlorophenyl)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 41483858
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide (CID 31727117) is N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide?
The InChIKey is RTZBMSHVFSGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-17-10-6-15(7-11-17)14-20(25)23-24-21(26)16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide has a molecular weight of 380.83 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide is sourced from PubChem (CID 31727117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).