N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide

C17H16BrFN2O2 — CID 55857179

IUPACN'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-2-11-3-6-13(7-4-11)17(23)21-20-16(22)10-12-5-8-15(19)14(18)9-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJDAABPDHFTYAAY-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.15
Rot. Bonds4

About N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide

N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide (PubChem CID 55857179) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
PubChem CID55857179
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-2-11-3-6-13(7-4-11)17(23)21-20-16(22)10-12-5-8-15(19)14(18)9-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJDAABPDHFTYAAY-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.15
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 N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide (CID 55857179) is N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)Cc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The InChIKey is JDAABPDHFTYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-2-11-3-6-13(7-4-11)17(23)21-20-16(22)10-12-5-8-15(19)14(18)9-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide has a molecular weight of 379.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 55857179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).