N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

C21H16Cl2N2O3 — CID 5191338

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-16-9-10-19(18(23)12-16)28-13-21(27)25-24-20(26)11-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyCFLCNDHGGPQVBD-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.39
Rot. Bonds5

About N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (PubChem CID 5191338) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
PubChem CID5191338
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-16-9-10-19(18(23)12-16)28-13-21(27)25-24-20(26)11-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyCFLCNDHGGPQVBD-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
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'}

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Related Compounds

(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide
CID 3352233
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (CID 5191338) is N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The InChIKey is CFLCNDHGGPQVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-16-9-10-19(18(23)12-16)28-13-21(27)25-24-20(26)11-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide has a molecular weight of 415.28 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is sourced from PubChem (CID 5191338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).