(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

C21H23BrCl2N2O4 — CID 42579286

IUPAC(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H23BrCl2N2O4/c1-12(30-18-8-6-14(23)10-16(18)24)20(28)26-25-19(27)11-29-17-7-5-13(9-15(17)22)21(2,3)4/h5-10,12H,11H2,1-4H3,(H,25,27)(H,26,28)/t12-/m1/s1
InChIKeyJLLWJBRQBJLDPI-GFCCVEGCSA-N
MW518.24 g/mol
LogP5.05
Rot. Bonds6

About (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (PubChem CID 42579286) has the molecular formula C21H23BrCl2N2O4 and a molecular weight of 518.24 g/mol. Its IUPAC name is (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
PubChem CID42579286
Molecular FormulaC21H23BrCl2N2O4
Molecular Weight518.24 g/mol
Exact Mass516.02
IUPAC Name(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H23BrCl2N2O4/c1-12(30-18-8-6-14(23)10-16(18)24)20(28)26-25-19(27)11-29-17-7-5-13(9-15(17)22)21(2,3)4/h5-10,12H,11H2,1-4H3,(H,25,27)(H,26,28)/t12-/m1/s1
InChIKeyJLLWJBRQBJLDPI-GFCCVEGCSA-N
XLogP5.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.24
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 4943032
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (CID 42579286) is (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The InChIKey is JLLWJBRQBJLDPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H23BrCl2N2O4/c1-12(30-18-8-6-14(23)10-16(18)24)20(28)26-25-19(27)11-29-17-7-5-13(9-15(17)22)21(2,3)4/h5-10,12H,11H2,1-4H3,(H,25,27)(H,26,28)/t12-/m1/s1.
What are the key properties of (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide has a molecular weight of 518.24 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is sourced from PubChem (CID 42579286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).