5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide

C16H15ClN2O3 — CID 846323

IUPAC5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H15ClN2O3/c17-12-7-8-14(20)13(10-12)16(22)19-18-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2,(H,18,21)(H,19,22)
InChIKeyZDMVAJUCIBAQPH-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide

5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 846323) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID846323
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H15ClN2O3/c17-12-7-8-14(20)13(10-12)16(22)19-18-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2,(H,18,21)(H,19,22)
InChIKeyZDMVAJUCIBAQPH-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide (CID 846323) is 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide is O=C(CCc1ccccc1)NNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is ZDMVAJUCIBAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-12-7-8-14(20)13(10-12)16(22)19-18-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2,(H,18,21)(H,19,22).
What are the key properties of 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide?
5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 318.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 846323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).