N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide

C18H18Cl2N2O2 — CID 15617782

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

About N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide

N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide (PubChem CID 15617782) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide
PubChem CID15617782
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(21-16(23)12-7-5-4-6-8-12)17(24)13-9-10-14(19)15(20)11-13/h4-11H,1-3H3,(H,21,23)
InChIKeyHOMNKNDCTNDEBU-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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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide (CID 15617782) is N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide?
The InChIKey is HOMNKNDCTNDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(21-16(23)12-7-5-4-6-8-12)17(24)13-9-10-14(19)15(20)11-13/h4-11H,1-3H3,(H,21,23).
What are the key properties of N'-benzoyl-N-tert-butyl-3,4-dichlorobenzohydrazide?
N'-benzoyl-N-tert-butyl-3,4-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-3,4-dichlorobenzohydrazide is sourced from PubChem (CID 15617782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).