N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide

C19H19BrCl2N2O3 — CID 17133652

IUPACN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C19H19BrCl2N2O3/c1-19(2,3)12-4-5-16(15(20)8-12)27-10-17(25)23-24-18(26)11-6-13(21)9-14(22)7-11/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYGFBIPNGXKVAJN-UHFFFAOYSA-N
MW474.18 g/mol
LogP4.89
Rot. Bonds4

About N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide (PubChem CID 17133652) has the molecular formula C19H19BrCl2N2O3 and a molecular weight of 474.18 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
PubChem CID17133652
Molecular FormulaC19H19BrCl2N2O3
Molecular Weight474.18 g/mol
Exact Mass472.00
IUPAC NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C19H19BrCl2N2O3/c1-19(2,3)12-4-5-16(15(20)8-12)27-10-17(25)23-24-18(26)11-6-13(21)9-14(22)7-11/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYGFBIPNGXKVAJN-UHFFFAOYSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.18
LogP ≤ 54.89
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

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dinitrobenzohydrazide
CID 4922335
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141442
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
CID 17139777

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide (CID 17133652) is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide?
The InChIKey is YGFBIPNGXKVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O3/c1-19(2,3)12-4-5-16(15(20)8-12)27-10-17(25)23-24-18(26)11-6-13(21)9-14(22)7-11/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide?
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide has a molecular weight of 474.18 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide is sourced from PubChem (CID 17133652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).