2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide

C17H17ClN2O2 — CID 24654376

IUPAC2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide
SMILESCC(C)(C(=O)NNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-17(2,12-8-4-3-5-9-12)16(22)20-19-15(21)13-10-6-7-11-14(13)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWYNIYRYEYYAGRK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide

2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide (PubChem CID 24654376) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide
PubChem CID24654376
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide
SMILESCC(C)(C(=O)NNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-17(2,12-8-4-3-5-9-12)16(22)20-19-15(21)13-10-6-7-11-14(13)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWYNIYRYEYYAGRK-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.08
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 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide (CID 24654376) is 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide is CC(C)(C(=O)NNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide?
The InChIKey is WYNIYRYEYYAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-17(2,12-8-4-3-5-9-12)16(22)20-19-15(21)13-10-6-7-11-14(13)18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide?
2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide has a molecular weight of 316.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-methyl-2-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 24654376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).