4-chloro-N'-(2-phenylethyl)benzohydrazide

C15H15ClN2O — CID 110168183

IUPAC4-chloro-N'-(2-phenylethyl)benzohydrazide
SMILESO=C(NNCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c16-14-8-6-13(7-9-14)15(19)18-17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyNQGNSPOKSUVOGP-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.82
Rot. Bonds5

About 4-chloro-N'-(2-phenylethyl)benzohydrazide

4-chloro-N'-(2-phenylethyl)benzohydrazide (PubChem CID 110168183) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N'-(2-phenylethyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-phenylethyl)benzohydrazide
PubChem CID110168183
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-N'-(2-phenylethyl)benzohydrazide
SMILESO=C(NNCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c16-14-8-6-13(7-9-14)15(19)18-17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyNQGNSPOKSUVOGP-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-chloro-N'-(2-phenylethyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(2-phenylethyl)benzohydrazide (CID 110168183) is 4-chloro-N'-(2-phenylethyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-phenylethyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(2-phenylethyl)benzohydrazide is O=C(NNCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2-phenylethyl)benzohydrazide?
The InChIKey is NQGNSPOKSUVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-14-8-6-13(7-9-14)15(19)18-17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 4-chloro-N'-(2-phenylethyl)benzohydrazide?
4-chloro-N'-(2-phenylethyl)benzohydrazide has a molecular weight of 274.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-phenylethyl)benzohydrazide is sourced from PubChem (CID 110168183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).