N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide

C20H21Cl2N3O4 — CID 4931366

IUPACN-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H21Cl2N3O4/c1-12-4-3-5-15(10-12)29-13(2)20(28)25-24-19(27)9-8-18(26)23-17-7-6-14(21)11-16(17)22/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyRXAYLXZAZMUCHW-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.64
Rot. Bonds7

About N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide

N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 4931366) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
PubChem CID4931366
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC NameN-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H21Cl2N3O4/c1-12-4-3-5-15(10-12)29-13(2)20(28)25-24-19(27)9-8-18(26)23-17-7-6-14(21)11-16(17)22/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyRXAYLXZAZMUCHW-UHFFFAOYSA-N
XLogP3.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.64
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-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953857
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
N-(3,4-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931367
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139334
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide (CID 4931366) is N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide is Cc1cccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is RXAYLXZAZMUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-12-4-3-5-15(10-12)29-13(2)20(28)25-24-19(27)9-8-18(26)23-17-7-6-14(21)11-16(17)22/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide?
N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 438.31 g/mol, XLogP of 3.64, 7 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-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4931366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).