N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide

C18H19ClN2O2 — CID 14626540

IUPACN'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-9-11-15(19)12-10-14)20-16(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22)
InChIKeyTVMCRIUXMHIDNG-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.93
Rot. Bonds2

About N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide

N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide (PubChem CID 14626540) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide
PubChem CID14626540
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-9-11-15(19)12-10-14)20-16(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22)
InChIKeyTVMCRIUXMHIDNG-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.93
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

Tebufenozide
CID 91773
Halofenozide
CID 114994
2-Chloro-n'-(2-chlorobenzoyl)benzohydrazide
CID 258818
4-Chlorobenzohydrazide
CID 10816
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
1-Benzoyl-2-(4-chlorobenzoyl)hydrazine
CID 256404
Benzamide derivative 11
CID 41306362
Benzoic acid, 2,4-dichloro-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 181402
Benzoic acid, 2-iodo-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 183422
N'-benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 183463
N'-benzoyl-N-tert-butyl-2-chlorobenzohydrazide
CID 14626542
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide (CID 14626540) is N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide?
The InChIKey is TVMCRIUXMHIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-9-11-15(19)12-10-14)20-16(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22).
What are the key properties of N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide?
N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide has a molecular weight of 330.82 g/mol, XLogP of 3.93, 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-4-chlorobenzohydrazide is sourced from PubChem (CID 14626540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).