4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide

C21H23Cl2N3O4 — CID 4956746

IUPAC4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
SMILESCCCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H23Cl2N3O4/c1-2-3-11-30-16-6-4-5-14(12-16)21(29)26-25-20(28)10-9-19(27)24-18-8-7-15(22)13-17(18)23/h4-8,12-13H,2-3,9-11H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVHNRQWDAKOTITG-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.35
Rot. Bonds9

About 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide

4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide (PubChem CID 4956746) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
PubChem CID4956746
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC Name4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
SMILESCCCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H23Cl2N3O4/c1-2-3-11-30-16-6-4-5-14(12-16)21(29)26-25-20(28)10-9-19(27)24-18-8-7-15(22)13-17(18)23/h4-8,12-13H,2-3,9-11H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVHNRQWDAKOTITG-UHFFFAOYSA-N
XLogP4.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.35
H-Bond Donors ≤ 53
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-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
N-(2,4-dichlorophenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733090
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
4-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 4955915
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide (CID 4956746) is 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide is CCCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide?
The InChIKey is VHNRQWDAKOTITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c1-2-3-11-30-16-6-4-5-14(12-16)21(29)26-25-20(28)10-9-19(27)24-18-8-7-15(22)13-17(18)23/h4-8,12-13H,2-3,9-11H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide?
4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide has a molecular weight of 452.34 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 4956746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).