N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide

C17H16Cl2N2O2 — CID 15617817

IUPACN'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide
SMILESCC(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(2)21(17(23)12-6-4-3-5-7-12)20-16(22)13-8-9-14(18)15(19)10-13/h3-11H,1-2H3,(H,20,22)
InChIKeyLSZXNXQPRXOCNM-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.19
Rot. Bonds3

About N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide

N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide (PubChem CID 15617817) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide
PubChem CID15617817
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide
SMILESCC(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(2)21(17(23)12-6-4-3-5-7-12)20-16(22)13-8-9-14(18)15(19)10-13/h3-11H,1-2H3,(H,20,22)
InChIKeyLSZXNXQPRXOCNM-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.19
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-3,4-dichloro-N'-propan-2-ylbenzohydrazide?
The IUPAC name of N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide (CID 15617817) is N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide is CC(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide?
The InChIKey is LSZXNXQPRXOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(2)21(17(23)12-6-4-3-5-7-12)20-16(22)13-8-9-14(18)15(19)10-13/h3-11H,1-2H3,(H,20,22).
What are the key properties of N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide?
N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide has a molecular weight of 351.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3,4-dichloro-N'-propan-2-ylbenzohydrazide is sourced from PubChem (CID 15617817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).