N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide

C21H24ClN3O4 — CID 4513816

IUPACN-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClN3O4/c1-14(2)15-7-9-16(10-8-15)29-13-21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyYZONLCMMQPQRBW-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.41
Rot. Bonds8

About N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide

N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide (PubChem CID 4513816) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
PubChem CID4513816
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClN3O4/c1-14(2)15-7-9-16(10-8-15)29-13-21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyYZONLCMMQPQRBW-UHFFFAOYSA-N
XLogP3.41
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.41
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-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide (CID 4513816) is N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide is CC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The InChIKey is YZONLCMMQPQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-14(2)15-7-9-16(10-8-15)29-13-21(28)25-24-20(27)12-11-19(26)23-18-6-4-3-5-17(18)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide has a molecular weight of 417.89 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide is sourced from PubChem (CID 4513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).