N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide

C14H12BrClN2O3S — CID 1366597

IUPACN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)Cc1cccs1
InChIInChI=1S/C14H12BrClN2O3S/c15-11-6-9(16)3-4-12(11)21-8-14(20)18-17-13(19)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyBJYNJJOEWLYULX-UHFFFAOYSA-N
MW403.69 g/mol
LogP2.93
Rot. Bonds5

About N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide (PubChem CID 1366597) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
PubChem CID1366597
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)Cc1cccs1
InChIInChI=1S/C14H12BrClN2O3S/c15-11-6-9(16)3-4-12(11)21-8-14(20)18-17-13(19)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyBJYNJJOEWLYULX-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 52.93
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

2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
CID 4926231
N'-[2-(2-phenylphenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 7978348
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methylpropanamide
CID 4926464
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide (CID 1366597) is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide is O=C(COc1ccc(Cl)cc1Br)NNC(=O)Cc1cccs1.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide?
The InChIKey is BJYNJJOEWLYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c15-11-6-9(16)3-4-12(11)21-8-14(20)18-17-13(19)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide has a molecular weight of 403.69 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide is sourced from PubChem (CID 1366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).