N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide

C24H22Cl2N2O5 — CID 4955112

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C24H22Cl2N2O5/c1-16(33-22-11-10-18(25)15-21(22)26)23(29)27-28-24(30)17-6-5-9-20(14-17)32-13-12-31-19-7-3-2-4-8-19/h2-11,14-16H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyKMCBSQRAFWPBHD-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.68
Rot. Bonds9

About N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4955112) has the molecular formula C24H22Cl2N2O5 and a molecular weight of 489.36 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
PubChem CID4955112
Molecular FormulaC24H22Cl2N2O5
Molecular Weight489.36 g/mol
Exact Mass488.09
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C24H22Cl2N2O5/c1-16(33-22-11-10-18(25)15-21(22)26)23(29)27-28-24(30)17-6-5-9-20(14-17)32-13-12-31-19-7-3-2-4-8-19/h2-11,14-16H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyKMCBSQRAFWPBHD-UHFFFAOYSA-N
XLogP4.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
N-[[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamothioyl]benzamide
CID 40529986
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide (CID 4955112) is N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is KMCBSQRAFWPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O5/c1-16(33-22-11-10-18(25)15-21(22)26)23(29)27-28-24(30)17-6-5-9-20(14-17)32-13-12-31-19-7-3-2-4-8-19/h2-11,14-16H,12-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 489.36 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4955112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).