N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide

C19H21ClN2O2 — CID 70427780

IUPACN'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
SMILESCc1ccc(Cl)cc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13-10-11-15(20)12-16(13)18(24)22(19(2,3)4)21-17(23)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,21,23)
InChIKeyAUKDFFJAGWIXHR-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.23
Rot. Bonds2

About N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide

N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide (PubChem CID 70427780) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
PubChem CID70427780
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
SMILESCc1ccc(Cl)cc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13-10-11-15(20)12-16(13)18(24)22(19(2,3)4)21-17(23)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,21,23)
InChIKeyAUKDFFJAGWIXHR-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'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide (CID 70427780) is N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide is Cc1ccc(Cl)cc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide?
The InChIKey is AUKDFFJAGWIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-10-11-15(20)12-16(13)18(24)22(19(2,3)4)21-17(23)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,21,23).
What are the key properties of N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide?
N'-benzoyl-N-tert-butyl-5-chloro-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'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide is sourced from PubChem (CID 70427780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).