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

C22H25BrCl2N2O4 — CID 17343512

IUPAC5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25BrCl2N2O4/c1-3-4-5-6-11-30-19-9-7-15(23)12-17(19)22(29)27-26-21(28)14(2)31-20-10-8-16(24)13-18(20)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZIUDKTRORUVCTE-UHFFFAOYSA-N
MW532.26 g/mol
LogP5.94
Rot. Bonds10

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

5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide (PubChem CID 17343512) has the molecular formula C22H25BrCl2N2O4 and a molecular weight of 532.26 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide
PubChem CID17343512
Molecular FormulaC22H25BrCl2N2O4
Molecular Weight532.26 g/mol
Exact Mass530.04
IUPAC Name5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25BrCl2N2O4/c1-3-4-5-6-11-30-19-9-7-15(23)12-17(19)22(29)27-26-21(28)14(2)31-20-10-8-16(24)13-18(20)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZIUDKTRORUVCTE-UHFFFAOYSA-N
XLogP5.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.26
LogP ≤ 55.94
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-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 17350239
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
5-bromo-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-2-hexoxybenzamide
CID 17343798
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 17343583
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide (CID 17343512) is 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide is CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide?
The InChIKey is ZIUDKTRORUVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrCl2N2O4/c1-3-4-5-6-11-30-19-9-7-15(23)12-17(19)22(29)27-26-21(28)14(2)31-20-10-8-16(24)13-18(20)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide?
5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide has a molecular weight of 532.26 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide is sourced from PubChem (CID 17343512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).