N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide

C20H20ClN3O4 — CID 166421835

IUPACN-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c1-2-18(25)22-12-15-8-4-3-7-14(15)11-19(26)23-24-20(27)13-28-17-10-6-5-9-16(17)21/h2-10H,1,11-13H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyMECLTFFDZQJKDI-UHFFFAOYSA-N
MW401.85 g/mol
LogP1.91
Rot. Bonds8

About N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide

N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide (PubChem CID 166421835) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
PubChem CID166421835
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c1-2-18(25)22-12-15-8-4-3-7-14(15)11-19(26)23-24-20(27)13-28-17-10-6-5-9-16(17)21/h2-10H,1,11-13H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyMECLTFFDZQJKDI-UHFFFAOYSA-N
XLogP1.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide 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-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide (CID 166421835) is N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1CC(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The InChIKey is MECLTFFDZQJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-2-18(25)22-12-15-8-4-3-7-14(15)11-19(26)23-24-20(27)13-28-17-10-6-5-9-16(17)21/h2-10H,1,11-13H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide has a molecular weight of 401.85 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166421835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).