2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide

C22H18Cl2N2O3 — CID 3352233

IUPAC2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C22H18Cl2N2O3/c1-14(29-20-11-10-17(23)13-19(20)24)22(28)26-25-21(27)12-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyFHTAAYZPVAKHHC-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.77
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide

2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide (PubChem CID 3352233) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide
PubChem CID3352233
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C22H18Cl2N2O3/c1-14(29-20-11-10-17(23)13-19(20)24)22(28)26-25-21(27)12-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyFHTAAYZPVAKHHC-UHFFFAOYSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.77
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

N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
(E)-3-naphthalen-1-yl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]prop-2-enamide
CID 6234730
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
1-benzyl-3-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]thiourea
CID 7010205
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955112
2-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide (CID 3352233) is 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide?
The InChIKey is FHTAAYZPVAKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-14(29-20-11-10-17(23)13-19(20)24)22(28)26-25-21(27)12-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide?
2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide has a molecular weight of 429.30 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)propanehydrazide is sourced from PubChem (CID 3352233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).