N,4-ditert-butyl-N'-chlorobenzohydrazide

C15H23ClN2O — CID 57155431

IUPACN,4-ditert-butyl-N'-chlorobenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)N(NCl)C(C)(C)C)cc1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)12-9-7-11(8-10-12)13(19)18(17-16)15(4,5)6/h7-10,17H,1-6H3
InChIKeyLRPBHDROCADMRT-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.88
Rot. Bonds2

About N,4-ditert-butyl-N'-chlorobenzohydrazide

N,4-ditert-butyl-N'-chlorobenzohydrazide (PubChem CID 57155431) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N,4-ditert-butyl-N'-chlorobenzohydrazide.

Molecular Properties

Compound NameN,4-ditert-butyl-N'-chlorobenzohydrazide
PubChem CID57155431
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN,4-ditert-butyl-N'-chlorobenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)N(NCl)C(C)(C)C)cc1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)12-9-7-11(8-10-12)13(19)18(17-16)15(4,5)6/h7-10,17H,1-6H3
InChIKeyLRPBHDROCADMRT-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.88
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-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
CID 172553263
CID 172553263
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
CID 163788626

Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butyl-N'-chlorobenzohydrazide?
The IUPAC name of N,4-ditert-butyl-N'-chlorobenzohydrazide (CID 57155431) is N,4-ditert-butyl-N'-chlorobenzohydrazide.
What is the SMILES notation for N,4-ditert-butyl-N'-chlorobenzohydrazide?
The canonical SMILES for N,4-ditert-butyl-N'-chlorobenzohydrazide is CC(C)(C)c1ccc(C(=O)N(NCl)C(C)(C)C)cc1.
What is the InChIKey of N,4-ditert-butyl-N'-chlorobenzohydrazide?
The InChIKey is LRPBHDROCADMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2,3)12-9-7-11(8-10-12)13(19)18(17-16)15(4,5)6/h7-10,17H,1-6H3.
What are the key properties of N,4-ditert-butyl-N'-chlorobenzohydrazide?
N,4-ditert-butyl-N'-chlorobenzohydrazide has a molecular weight of 282.81 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-N'-chlorobenzohydrazide is sourced from PubChem (CID 57155431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).