N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide

C8H9ClN2O2S — CID 57169097

IUPACN'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
SMILESO=C(CCl)NNC(=O)Cc1cccs1
InChIInChI=1S/C8H9ClN2O2S/c9-5-8(13)11-10-7(12)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,10,12)(H,11,13)
InChIKeyJHDCILFOHSSXCX-UHFFFAOYSA-N
MW232.69 g/mol
LogP0.68
Rot. Bonds3

About N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide

N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide (PubChem CID 57169097) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
PubChem CID57169097
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC NameN'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
SMILESO=C(CCl)NNC(=O)Cc1cccs1
InChIInChI=1S/C8H9ClN2O2S/c9-5-8(13)11-10-7(12)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,10,12)(H,11,13)
InChIKeyJHDCILFOHSSXCX-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-[2-(2-thiophen-2-ylacetyl)hydrazinyl]acetic acid
CID 19834259
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
CID 2869572
N'-[1-(4-hydroxyphenyl)ethenyl]-2-thiophen-2-ylacetohydrazide
CID 4623836
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
N'-[2-(2-phenylphenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 7978348
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide (CID 57169097) is N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide is O=C(CCl)NNC(=O)Cc1cccs1.
What is the InChIKey of N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide?
The InChIKey is JHDCILFOHSSXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-5-8(13)11-10-7(12)4-6-2-1-3-14-6/h1-3H,4-5H2,(H,10,12)(H,11,13).
What are the key properties of N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide?
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide has a molecular weight of 232.69 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide is sourced from PubChem (CID 57169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).