3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide

C18H17ClN2O3 — CID 4507139

IUPAC3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-13-6-9-15(10-7-13)24-12-18(23)21-20-17(22)11-8-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXLLZHZOAAZRGQO-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.89
Rot. Bonds5

About 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide

3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 4507139) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID4507139
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-13-6-9-15(10-7-13)24-12-18(23)21-20-17(22)11-8-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXLLZHZOAAZRGQO-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.89
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'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
CID 24636166
(E)-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6134648
(E)-3-(2-chlorophenyl)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]prop-2-enehydrazide
CID 6133360
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 2062687
(E)-3-(2-chlorophenyl)-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 6134653
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 19167523
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide (CID 4507139) is 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide is Cc1ccc(OCC(=O)NNC(=O)C=Cc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is XLLZHZOAAZRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-13-6-9-15(10-7-13)24-12-18(23)21-20-17(22)11-8-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide?
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 344.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 4507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).