N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide

C16H21BrN2O3 — CID 2079636

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3/c17-13-6-8-14(9-7-13)22-11-16(21)19-18-15(20)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,20)(H,19,21)
InChIKeyKBQDZBPPSHCSLU-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.95
Rot. Bonds6

About N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide (PubChem CID 2079636) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide
PubChem CID2079636
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3/c17-13-6-8-14(9-7-13)22-11-16(21)19-18-15(20)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,20)(H,19,21)
InChIKeyKBQDZBPPSHCSLU-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[2-(2-cyanophenoxy)acetyl]-3-cyclopentylpropanehydrazide
CID 2640774
N-[2-(4-bromophenoxy)acetylamino]-3-phenylpropanamide
CID 3139325
2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 2124711
N-[2-(2-bromo-4-methylphenoxy)acetylamino]-3-phenylpropanamide
CID 3139327
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139334
2-(4-bromo-2-methylphenoxy)-N'-(phenylacetyl)acetohydrazide
CID 1047994
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139326
[2-[2-[2-(4-Bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 24687232
2-(4-Bromophenoxy)acetohydrazide
CID 692241
2-(4-Bromophenoxy)propanohydrazide
CID 4341869
2-(4-Bromophenoxy)pentanehydrazide
CID 2870521

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide (CID 2079636) is N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide is O=C(CCC1CCCC1)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide?
The InChIKey is KBQDZBPPSHCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c17-13-6-8-14(9-7-13)22-11-16(21)19-18-15(20)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide has a molecular weight of 369.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide is sourced from PubChem (CID 2079636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).