N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide

C18H18Cl2N2O2 — CID 14626547

IUPACN-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)14-6-4-5-7-15(14)20)21-16(23)12-8-10-13(19)11-9-12/h4-11H,1-3H3,(H,21,23)
InChIKeyQEIZHWRVSXPSIZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.58
Rot. Bonds2

About N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide

N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide (PubChem CID 14626547) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
PubChem CID14626547
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)14-6-4-5-7-15(14)20)21-16(23)12-8-10-13(19)11-9-12/h4-11H,1-3H3,(H,21,23)
InChIKeyQEIZHWRVSXPSIZ-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

N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
CID 19367989
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
CID 134106621
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
CID 67913113
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
CID 101234458
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide (CID 14626547) is N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The InChIKey is QEIZHWRVSXPSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)14-6-4-5-7-15(14)20)21-16(23)12-8-10-13(19)11-9-12/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide 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-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 14626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).