N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide

C18H19ClN2O2 — CID 14626541

IUPACN'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-10-7-11-15(19)12-14)20-16(22)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,20,22)
InChIKeySDQKSMPEFMVJPY-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.93
Rot. Bonds2

About N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide

N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide (PubChem CID 14626541) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide
PubChem CID14626541
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-10-7-11-15(19)12-14)20-16(22)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,20,22)
InChIKeySDQKSMPEFMVJPY-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 ≤ 500330.81
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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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide (CID 14626541) is N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide?
The InChIKey is SDQKSMPEFMVJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-10-7-11-15(19)12-14)20-16(22)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,20,22).
What are the key properties of N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide?
N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide has a molecular weight of 330.81 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-3-chlorobenzohydrazide is sourced from PubChem (CID 14626541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).