N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide

C22H26Cl2N2O2 — CID 67935907

IUPACN-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide
SMILESCCCCc1ccc(C(=O)NN(CCCC)C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-3-5-7-16-8-10-17(11-9-16)21(27)25-26(14-6-4-2)22(28)18-12-13-19(23)20(24)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,25,27)
InChIKeyPSEZSPAFWWIBIL-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.92
Rot. Bonds8

About N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide

N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide (PubChem CID 67935907) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide
PubChem CID67935907
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC NameN-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide
SMILESCCCCc1ccc(C(=O)NN(CCCC)C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-3-5-7-16-8-10-17(11-9-16)21(27)25-26(14-6-4-2)22(28)18-12-13-19(23)20(24)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,25,27)
InChIKeyPSEZSPAFWWIBIL-UHFFFAOYSA-N
XLogP5.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 67935788
N'-benzoyl-N-butyl-4-formylbenzohydrazide
CID 154230416
4-hydroxy-N'-(4-hydroxybenzoyl)-N'-propylbenzohydrazide
CID 176768221
N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide
CID 155350283
4-butyl-N,N-diethylbenzamide
CID 60675001
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
(2,4,6-trichlorophenyl) 4-butylbenzoate
CID 91723724
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N-[(2E)-2-benzylideneheptyl]-3,4-dichloro-N-(2-phenylethyl)benzamide
CID 42703257
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide?
The IUPAC name of N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide (CID 67935907) is N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide.
What is the SMILES notation for N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide?
The canonical SMILES for N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide is CCCCc1ccc(C(=O)NN(CCCC)C(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide?
The InChIKey is PSEZSPAFWWIBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-3-5-7-16-8-10-17(11-9-16)21(27)25-26(14-6-4-2)22(28)18-12-13-19(23)20(24)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,25,27).
What are the key properties of N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide?
N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide has a molecular weight of 421.37 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide is sourced from PubChem (CID 67935907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).