4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide

C19H21ClN2O4 — CID 8014621

IUPAC4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
SMILESCCOc1ccc(OCCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-25-16-9-11-17(12-10-16)26-13-3-4-18(23)21-22-19(24)14-5-7-15(20)8-6-14/h5-12H,2-4,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyIWFQCWBXFRJMNW-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.36
Rot. Bonds8

About 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide

4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide (PubChem CID 8014621) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
PubChem CID8014621
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
SMILESCCOc1ccc(OCCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-25-16-9-11-17(12-10-16)26-13-3-4-18(23)21-22-19(24)14-5-7-15(20)8-6-14/h5-12H,2-4,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyIWFQCWBXFRJMNW-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.36
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

4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide (CID 8014621) is 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide is CCOc1ccc(OCCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide?
The InChIKey is IWFQCWBXFRJMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-2-25-16-9-11-17(12-10-16)26-13-3-4-18(23)21-22-19(24)14-5-7-15(20)8-6-14/h5-12H,2-4,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide?
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide has a molecular weight of 376.84 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 8014621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).