N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide

C21H24ClN3O5 — CID 17122868

IUPACN-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-18-10-6-3-7-15(18)21(28)25-24-20(27)12-11-19(26)23-17-9-5-4-8-16(17)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUUSYCUFFXPMGMG-UHFFFAOYSA-N
MW433.89 g/mol
LogP2.94
Rot. Bonds10

About N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide

N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 17122868) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID17122868
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC NameN-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-18-10-6-3-7-15(18)21(28)25-24-20(27)12-11-19(26)23-17-9-5-4-8-16(17)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUUSYCUFFXPMGMG-UHFFFAOYSA-N
XLogP2.94
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 52.94
H-Bond Donors ≤ 53
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

N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17112771
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
N'-(3-ethoxypropanoyl)-2-methoxybenzohydrazide
CID 17357908
N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17357941
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122972
2-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 17122844
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17122839
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (CID 17122868) is N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is CCOCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is UUSYCUFFXPMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-18-10-6-3-7-15(18)21(28)25-24-20(27)12-11-19(26)23-17-9-5-4-8-16(17)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 433.89 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 17122868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).