N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide

C22H26Cl2N2O5 — CID 46569178

IUPACN'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2ccc(Cl)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C22H26Cl2N2O5/c1-4-29-18-11-15(12-19(30-5-2)21(18)31-6-3)22(28)26-25-20(27)10-8-14-7-9-16(23)13-17(14)24/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyXLEGRTXNOXCBTI-UHFFFAOYSA-N
MW469.37 g/mol
LogP4.58
Rot. Bonds10

About N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide

N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide (PubChem CID 46569178) has the molecular formula C22H26Cl2N2O5 and a molecular weight of 469.37 g/mol. Its IUPAC name is N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
PubChem CID46569178
Molecular FormulaC22H26Cl2N2O5
Molecular Weight469.37 g/mol
Exact Mass468.12
IUPAC NameN'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2ccc(Cl)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C22H26Cl2N2O5/c1-4-29-18-11-15(12-19(30-5-2)21(18)31-6-3)22(28)26-25-20(27)10-8-14-7-9-16(23)13-17(14)24/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyXLEGRTXNOXCBTI-UHFFFAOYSA-N
XLogP4.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
CID 26798030
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
CID 46422379
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide (CID 46569178) is N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)CCc2ccc(Cl)cc2Cl)cc(OCC)c1OCC.
What is the InChIKey of N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide?
The InChIKey is XLEGRTXNOXCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O5/c1-4-29-18-11-15(12-19(30-5-2)21(18)31-6-3)22(28)26-25-20(27)10-8-14-7-9-16(23)13-17(14)24/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide?
N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide has a molecular weight of 469.37 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 46569178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).