N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide

C22H25Cl2N3O4 — CID 4953857

IUPACN-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2N3O4/c1-13(2)15-4-7-17(8-5-15)31-14(3)22(30)27-26-21(29)11-10-20(28)25-19-9-6-16(23)12-18(19)24/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyNDQVZZYDUGIISK-UHFFFAOYSA-N
MW466.37 g/mol
LogP4.45
Rot. Bonds8

About N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide

N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide (PubChem CID 4953857) has the molecular formula C22H25Cl2N3O4 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
PubChem CID4953857
Molecular FormulaC22H25Cl2N3O4
Molecular Weight466.37 g/mol
Exact Mass465.12
IUPAC NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2N3O4/c1-13(2)15-4-7-17(8-5-15)31-14(3)22(30)27-26-21(29)11-10-20(28)25-19-9-6-16(23)12-18(19)24/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyNDQVZZYDUGIISK-UHFFFAOYSA-N
XLogP4.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 54.45
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-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931366
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953845
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide (CID 4953857) is N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The InChIKey is NDQVZZYDUGIISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4/c1-13(2)15-4-7-17(8-5-15)31-14(3)22(30)27-26-21(29)11-10-20(28)25-19-9-6-16(23)12-18(19)24/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide has a molecular weight of 466.37 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide is sourced from PubChem (CID 4953857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).