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

C16H15BrN2O2 — CID 809032

IUPAC4-bromo-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,18,20)(H,19,21)
InChIKeyFQSDSROUGIXNNB-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.84
Rot. Bonds4

About 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide

4-bromo-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 809032) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID809032
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-bromo-N'-(3-phenylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,18,20)(H,19,21)
InChIKeyFQSDSROUGIXNNB-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 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide (CID 809032) is 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide is O=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is FQSDSROUGIXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide?
4-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 4-bromo-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 809032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).