4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide

C18H21ClN2O — CID 127033760

IUPAC4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide
SMILESCc1cccc(Cl)c1NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-6-5-7-15(19)16(12)20-21-17(22)13-8-10-14(11-9-13)18(2,3)4/h5-11,20H,1-4H3,(H,21,22)
InChIKeyDEEYVOSDEMCNOS-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.70
Rot. Bonds3

About 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide

4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide (PubChem CID 127033760) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide
PubChem CID127033760
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide
SMILESCc1cccc(Cl)c1NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-6-5-7-15(19)16(12)20-21-17(22)13-8-10-14(11-9-13)18(2,3)4/h5-11,20H,1-4H3,(H,21,22)
InChIKeyDEEYVOSDEMCNOS-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
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 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide (CID 127033760) is 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide is Cc1cccc(Cl)c1NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide?
The InChIKey is DEEYVOSDEMCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-6-5-7-15(19)16(12)20-21-17(22)13-8-10-14(11-9-13)18(2,3)4/h5-11,20H,1-4H3,(H,21,22).
What are the key properties of 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide?
4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide has a molecular weight of 316.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide is sourced from PubChem (CID 127033760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).