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

C21H24ClN3O5 — CID 17112771

IUPACN-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-16-9-7-15(8-10-16)21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyJIBBBPSSAORXSW-UHFFFAOYSA-N
MW433.89 g/mol
LogP2.94
Rot. Bonds10

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

N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 17112771) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID17112771
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC NameN-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-16-9-7-15(8-10-16)21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyJIBBBPSSAORXSW-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-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17122868
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
4-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 4955915
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (CID 17112771) is N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is CCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is JIBBBPSSAORXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5/c1-2-29-13-14-30-16-9-7-15(8-10-16)21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)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-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
N-(2-chlorophenyl)-4-[2-[4-(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-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 17112771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).