N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide

C18H18Cl2N2O2 — CID 67913116

IUPACN'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)12-7-5-4-6-8-12)21-16(23)14-10-9-13(19)11-15(14)20/h4-11H,1-3H3,(H,21,23)
InChIKeyLIJJGTZJYJHSII-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.58
Rot. Bonds2

About N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide

N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide (PubChem CID 67913116) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
PubChem CID67913116
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)12-7-5-4-6-8-12)21-16(23)14-10-9-13(19)11-15(14)20/h4-11H,1-3H3,(H,21,23)
InChIKeyLIJJGTZJYJHSII-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.58
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

1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
CID 134114934
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N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N-tert-butyl-2,4-dichloro-N-phenylbenzamide
CID 91801665
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 139719107

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide (CID 67913116) is N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide?
The InChIKey is LIJJGTZJYJHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)12-7-5-4-6-8-12)21-16(23)14-10-9-13(19)11-15(14)20/h4-11H,1-3H3,(H,21,23).
What are the key properties of N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide?
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide has a molecular weight of 365.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 67913116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).