5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide

C20H21BrCl2N2O4 — CID 17350239

IUPAC5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21BrCl2N2O4/c1-3-4-9-28-17-7-5-13(21)10-15(17)20(27)25-24-19(26)12(2)29-18-8-6-14(22)11-16(18)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXAXBPKNITNDRNH-UHFFFAOYSA-N
MW504.21 g/mol
LogP5.16
Rot. Bonds8

About 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide

5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide (PubChem CID 17350239) has the molecular formula C20H21BrCl2N2O4 and a molecular weight of 504.21 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
PubChem CID17350239
Molecular FormulaC20H21BrCl2N2O4
Molecular Weight504.21 g/mol
Exact Mass502.01
IUPAC Name5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21BrCl2N2O4/c1-3-4-9-28-17-7-5-13(21)10-15(17)20(27)25-24-19(26)12(2)29-18-8-6-14(22)11-16(18)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXAXBPKNITNDRNH-UHFFFAOYSA-N
XLogP5.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.21
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide
CID 17343512
5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-2-propoxybenzamide
CID 17352396
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide (CID 17350239) is 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The InChIKey is XAXBPKNITNDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrCl2N2O4/c1-3-4-9-28-17-7-5-13(21)10-15(17)20(27)25-24-19(26)12(2)29-18-8-6-14(22)11-16(18)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide has a molecular weight of 504.21 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 17350239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).