4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide

C14H17BrN2O3 — CID 111536284

IUPAC4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide
SMILESO=C(CC1(O)CCCC1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O3/c15-11-5-3-10(4-6-11)13(19)17-16-12(18)9-14(20)7-1-2-8-14/h3-6,20H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyZUSFBJIFLNAIMJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.91
Rot. Bonds3

About 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide

4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide (PubChem CID 111536284) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide
PubChem CID111536284
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide
SMILESO=C(CC1(O)CCCC1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O3/c15-11-5-3-10(4-6-11)13(19)17-16-12(18)9-14(20)7-1-2-8-14/h3-6,20H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyZUSFBJIFLNAIMJ-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.91
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 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide (CID 111536284) is 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide is O=C(CC1(O)CCCC1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide?
The InChIKey is ZUSFBJIFLNAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-5-3-10(4-6-11)13(19)17-16-12(18)9-14(20)7-1-2-8-14/h3-6,20H,1-2,7-9H2,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide?
4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide has a molecular weight of 341.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide is sourced from PubChem (CID 111536284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).