N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide

C18H18Cl2N2O2 — CID 55822719

IUPACN'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-5-2-3-7-14(12)18(24)22-21-17(23)8-4-6-13-9-10-15(19)16(20)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZLAPBUYYVBCDU-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.09
Rot. Bonds5

About N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide

N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide (PubChem CID 55822719) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
PubChem CID55822719
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-5-2-3-7-14(12)18(24)22-21-17(23)8-4-6-13-9-10-15(19)16(20)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZLAPBUYYVBCDU-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
CID 54544701
N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
CID 46662074
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
4-(3,4-dichlorophenyl)butanamide
CID 47319689
4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 55853083

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide (CID 55822719) is N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide?
The InChIKey is LZLAPBUYYVBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-5-2-3-7-14(12)18(24)22-21-17(23)8-4-6-13-9-10-15(19)16(20)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide?
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide has a molecular weight of 365.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 55822719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).