N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide

C19H18Cl3N3O4 — CID 5120294

IUPACN-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H18Cl3N3O4/c1-11(29-16-7-6-12(20)10-14(16)22)19(28)25-24-18(27)9-8-17(26)23-15-5-3-2-4-13(15)21/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMQMLEABMTXAOFJ-UHFFFAOYSA-N
MW458.73 g/mol
LogP3.98
Rot. Bonds7

About N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide

N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 5120294) has the molecular formula C19H18Cl3N3O4 and a molecular weight of 458.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
PubChem CID5120294
Molecular FormulaC19H18Cl3N3O4
Molecular Weight458.73 g/mol
Exact Mass457.04
IUPAC NameN-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H18Cl3N3O4/c1-11(29-16-7-6-12(20)10-14(16)22)19(28)25-24-18(27)9-8-17(26)23-15-5-3-2-4-13(15)21/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMQMLEABMTXAOFJ-UHFFFAOYSA-N
XLogP3.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.73
LogP ≤ 53.98
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

N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931366
N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953857
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide (CID 5120294) is N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is MQMLEABMTXAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4/c1-11(29-16-7-6-12(20)10-14(16)22)19(28)25-24-18(27)9-8-17(26)23-15-5-3-2-4-13(15)21/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 458.73 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 5120294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).