N-tert-butyl-N',4-dichlorobenzohydrazide

C11H14Cl2N2O — CID 57207833

IUPACN-tert-butyl-N',4-dichlorobenzohydrazide
SMILESCC(C)(C)N(NCl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,3)15(14-13)10(16)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3
InChIKeyVDVXDUYALIQUSA-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.24
Rot. Bonds2

About N-tert-butyl-N',4-dichlorobenzohydrazide

N-tert-butyl-N',4-dichlorobenzohydrazide (PubChem CID 57207833) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N-tert-butyl-N',4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N',4-dichlorobenzohydrazide
PubChem CID57207833
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN-tert-butyl-N',4-dichlorobenzohydrazide
SMILESCC(C)(C)N(NCl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,3)15(14-13)10(16)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3
InChIKeyVDVXDUYALIQUSA-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-ditert-butyl-N'-chlorobenzohydrazide
CID 57155431
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
CID 67921959
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N-tert-butyl-4-chloro-N'-hex-2-ynoylbenzohydrazide
CID 67921954
N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
CID 19752746
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',4-dichlorobenzohydrazide?
The IUPAC name of N-tert-butyl-N',4-dichlorobenzohydrazide (CID 57207833) is N-tert-butyl-N',4-dichlorobenzohydrazide.
What is the SMILES notation for N-tert-butyl-N',4-dichlorobenzohydrazide?
The canonical SMILES for N-tert-butyl-N',4-dichlorobenzohydrazide is CC(C)(C)N(NCl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-N',4-dichlorobenzohydrazide?
The InChIKey is VDVXDUYALIQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-11(2,3)15(14-13)10(16)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3.
What are the key properties of N-tert-butyl-N',4-dichlorobenzohydrazide?
N-tert-butyl-N',4-dichlorobenzohydrazide has a molecular weight of 261.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',4-dichlorobenzohydrazide is sourced from PubChem (CID 57207833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).