N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide

C25H24ClN3O4 — CID 4512967

IUPACN-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-17-21(26)8-5-9-22(17)27-23(30)14-15-24(31)28-29-25(32)16-33-20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeySJZUHRVKMFKPJI-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.26
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide

N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide (PubChem CID 4512967) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
PubChem CID4512967
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-17-21(26)8-5-9-22(17)27-23(30)14-15-24(31)28-29-25(32)16-33-20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeySJZUHRVKMFKPJI-UHFFFAOYSA-N
XLogP4.26
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513201
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3341674
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4931207
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide (CID 4512967) is N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The InChIKey is SJZUHRVKMFKPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-17-21(26)8-5-9-22(17)27-23(30)14-15-24(31)28-29-25(32)16-33-20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide has a molecular weight of 465.94 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide is sourced from PubChem (CID 4512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).