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

C19H21ClN2O2 — CID 23276437

IUPACN-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-9-11-14(12-10-13)17(23)21-22(19(2,3)4)18(24)15-7-5-6-8-16(15)20/h5-12H,1-4H3,(H,21,23)
InChIKeyCDBUBDOIZDUJLX-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.23
Rot. Bonds2

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

N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 23276437) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID23276437
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13-9-11-14(12-10-13)17(23)21-22(19(2,3)4)18(24)15-7-5-6-8-16(15)20/h5-12H,1-4H3,(H,21,23)
InChIKeyCDBUBDOIZDUJLX-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-2-chloro-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide (CID 23276437) is N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is CDBUBDOIZDUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-9-11-14(12-10-13)17(23)21-22(19(2,3)4)18(24)15-7-5-6-8-16(15)20/h5-12H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide?
N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide 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-2-chloro-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 23276437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).