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

C16H15ClN2O2 — CID 730476

IUPAC2-chloro-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyAWVRFECFPPCOGJ-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.73
Rot. Bonds4

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

2-chloro-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 730476) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID730476
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyAWVRFECFPPCOGJ-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.73
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'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide (CID 730476) is 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide is O=C(CCc1ccccc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is AWVRFECFPPCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide?
2-chloro-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 302.76 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 730476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).