2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide

C17H16BrClN2O3 — CID 55348588

IUPAC2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-11(24-15-8-4-13(18)5-9-15)17(23)21-20-16(22)10-12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKICVPDNMAQMJQQ-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide

2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide (PubChem CID 55348588) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
PubChem CID55348588
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC Name2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-11(24-15-8-4-13(18)5-9-15)17(23)21-20-16(22)10-12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKICVPDNMAQMJQQ-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.26
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

(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55857189
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4953442
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683
2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
CID 4944212
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide (CID 55348588) is 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide is CC(Oc1ccc(Br)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The InChIKey is KICVPDNMAQMJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-11(24-15-8-4-13(18)5-9-15)17(23)21-20-16(22)10-12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 55348588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).