N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide

C19H21ClN2O2 — CID 23276436

IUPACN'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13-9-5-6-10-14(13)17(23)21-22(19(2,3)4)18(24)15-11-7-8-12-16(15)20/h5-12H,1-4H3,(H,21,23)
InChIKeyAGKKEYBHKKSJSF-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.23
Rot. Bonds2

About N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide

N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide (PubChem CID 23276436) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide
PubChem CID23276436
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13-9-5-6-10-14(13)17(23)21-22(19(2,3)4)18(24)15-11-7-8-12-16(15)20/h5-12H,1-4H3,(H,21,23)
InChIKeyAGKKEYBHKKSJSF-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.23
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'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide (CID 23276436) is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide?
The InChIKey is AGKKEYBHKKSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-9-5-6-10-14(13)17(23)21-22(19(2,3)4)18(24)15-11-7-8-12-16(15)20/h5-12H,1-4H3,(H,21,23).
What are the key properties of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide?
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide has a molecular weight of 344.84 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-methylbenzohydrazide is sourced from PubChem (CID 23276436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).