3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide

C13H11ClN2O2S — CID 7918359

IUPAC3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
SMILESO=C(Cc1ccsc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2S/c14-11-3-1-2-10(7-11)13(18)16-15-12(17)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18)
InChIKeyGGBXRVHWRPYPQY-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.41
Rot. Bonds3

About 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide

3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide (PubChem CID 7918359) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
PubChem CID7918359
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
SMILESO=C(Cc1ccsc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2S/c14-11-3-1-2-10(7-11)13(18)16-15-12(17)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18)
InChIKeyGGBXRVHWRPYPQY-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide (CID 7918359) is 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide is O=C(Cc1ccsc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide?
The InChIKey is GGBXRVHWRPYPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-11-3-1-2-10(7-11)13(18)16-15-12(17)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18).
What are the key properties of 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide?
3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide has a molecular weight of 294.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide is sourced from PubChem (CID 7918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).