4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide

C16H14BrClN2O3 — CID 78876899

IUPAC4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
SMILESO=C(CCOc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O3/c17-12-3-1-11(2-4-12)16(22)20-19-15(21)9-10-23-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyCMAUZWCSDXYMSV-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.33
Rot. Bonds5

About 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide

4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide (PubChem CID 78876899) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
PubChem CID78876899
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
SMILESO=C(CCOc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O3/c17-12-3-1-11(2-4-12)16(22)20-19-15(21)9-10-23-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyCMAUZWCSDXYMSV-UHFFFAOYSA-N
XLogP3.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.33
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

4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide (CID 78876899) is 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide is O=C(CCOc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide?
The InChIKey is CMAUZWCSDXYMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c17-12-3-1-11(2-4-12)16(22)20-19-15(21)9-10-23-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide?
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide has a molecular weight of 397.66 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 78876899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).