N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide

C18H18Cl2N2O3 — CID 3270892

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12-4-6-13(7-5-12)18(24)22-21-17(23)3-2-10-25-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyFWAKYQUGFJCYJZ-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.92
Rot. Bonds6

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide (PubChem CID 3270892) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
PubChem CID3270892
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12-4-6-13(7-5-12)18(24)22-21-17(23)3-2-10-25-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyFWAKYQUGFJCYJZ-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
5-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 4849820
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N'-[4-(2,4-dichlorophenoxy)butanoyl]-5-methyl-1-(4-methylphenyl)triazole-4-carbohydrazide
CID 55883015
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
CID 3382871
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 35184424
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide (CID 3270892) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide?
The InChIKey is FWAKYQUGFJCYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12-4-6-13(7-5-12)18(24)22-21-17(23)3-2-10-25-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide has a molecular weight of 381.26 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 3270892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).