4-(2-phenylcyclopropyl)benzohydrazide

C16H16N2O — CID 4594491

IUPAC4-(2-phenylcyclopropyl)benzohydrazide
SMILESNNC(=O)c1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10,17H2,(H,18,19)
InChIKeyNCCXTIMHSSGUEJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-phenylcyclopropyl)benzohydrazide

4-(2-phenylcyclopropyl)benzohydrazide (PubChem CID 4594491) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(2-phenylcyclopropyl)benzohydrazide.

Molecular Properties

Compound Name4-(2-phenylcyclopropyl)benzohydrazide
PubChem CID4594491
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(2-phenylcyclopropyl)benzohydrazide
SMILESNNC(=O)c1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10,17H2,(H,18,19)
InChIKeyNCCXTIMHSSGUEJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylcyclopropyl)benzohydrazide?
The IUPAC name of 4-(2-phenylcyclopropyl)benzohydrazide (CID 4594491) is 4-(2-phenylcyclopropyl)benzohydrazide.
What is the SMILES notation for 4-(2-phenylcyclopropyl)benzohydrazide?
The canonical SMILES for 4-(2-phenylcyclopropyl)benzohydrazide is NNC(=O)c1ccc(C2CC2c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylcyclopropyl)benzohydrazide?
The InChIKey is NCCXTIMHSSGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10,17H2,(H,18,19).
What are the key properties of 4-(2-phenylcyclopropyl)benzohydrazide?
4-(2-phenylcyclopropyl)benzohydrazide has a molecular weight of 252.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylcyclopropyl)benzohydrazide is sourced from PubChem (CID 4594491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).