4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide

C19H21ClN2O3S — CID 55786769

IUPAC4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
SMILESCCSCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-26-12-11-18(23)21-22-19(24)15-5-3-14(4-6-15)13-25-17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUIEKHANYFXLRHA-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.82
Rot. Bonds8

About 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide (PubChem CID 55786769) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
PubChem CID55786769
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
SMILESCCSCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-26-12-11-18(23)21-22-19(24)15-5-3-14(4-6-15)13-25-17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyUIEKHANYFXLRHA-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
CID 24514091
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 34079875
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide (CID 55786769) is 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide is CCSCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide?
The InChIKey is UIEKHANYFXLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-26-12-11-18(23)21-22-19(24)15-5-3-14(4-6-15)13-25-17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide has a molecular weight of 392.91 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide is sourced from PubChem (CID 55786769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).