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

C16H15BrN2O2 — CID 603175

IUPAC2-bromo-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/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)
InChIKeyVAKZRWCBRLIQLS-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.84
Rot. Bonds4

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

2-bromo-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 603175) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID603175
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-bromo-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/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)
InChIKeyVAKZRWCBRLIQLS-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.84
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-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide (CID 603175) is 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide is O=C(CCc1ccccc1)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is VAKZRWCBRLIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/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-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
2-bromo-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 347.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 603175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).