N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide

C18H20Cl2N2O — CID 54544701

IUPACN'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
SMILESO=C(CCCCc1ccc(Cl)c(Cl)c1)NNCc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c19-16-11-10-14(12-17(16)20)6-4-5-9-18(23)22-21-13-15-7-2-1-3-8-15/h1-3,7-8,10-12,21H,4-6,9,13H2,(H,22,23)
InChIKeyZFSHAMMLTBQTBK-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.53
Rot. Bonds8

About N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide

N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide (PubChem CID 54544701) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide.

Molecular Properties

Compound NameN'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
PubChem CID54544701
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
SMILESO=C(CCCCc1ccc(Cl)c(Cl)c1)NNCc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c19-16-11-10-14(12-17(16)20)6-4-5-9-18(23)22-21-13-15-7-2-1-3-8-15/h1-3,7-8,10-12,21H,4-6,9,13H2,(H,22,23)
InChIKeyZFSHAMMLTBQTBK-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719
4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 55853083
2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
4-(3,4-dichlorophenyl)butanamide
CID 47319689
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
N'-benzyl-4,4-dimethylpentanehydrazide
CID 22069131
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide?
The IUPAC name of N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide (CID 54544701) is N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide.
What is the SMILES notation for N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide?
The canonical SMILES for N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide is O=C(CCCCc1ccc(Cl)c(Cl)c1)NNCc1ccccc1.
What is the InChIKey of N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide?
The InChIKey is ZFSHAMMLTBQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-16-11-10-14(12-17(16)20)6-4-5-9-18(23)22-21-13-15-7-2-1-3-8-15/h1-3,7-8,10-12,21H,4-6,9,13H2,(H,22,23).
What are the key properties of N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide?
N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide has a molecular weight of 351.28 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide is sourced from PubChem (CID 54544701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).