3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

C15H13ClN2O3S — CID 2712962

IUPAC3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O3S/c16-11-4-1-3-10(9-11)15(21)18-17-14(20)7-6-12(19)13-5-2-8-22-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,21)
InChIKeyZDMUBNYLVQRJCI-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.83
Rot. Bonds5

About 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (PubChem CID 2712962) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
PubChem CID2712962
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O3S/c16-11-4-1-3-10(9-11)15(21)18-17-14(20)7-6-12(19)13-5-2-8-22-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,21)
InChIKeyZDMUBNYLVQRJCI-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (CID 2712962) is 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is O=C(CCC(=O)c1cccs1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The InChIKey is ZDMUBNYLVQRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-11-4-1-3-10(9-11)15(21)18-17-14(20)7-6-12(19)13-5-2-8-22-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,21).
What are the key properties of 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide has a molecular weight of 336.80 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is sourced from PubChem (CID 2712962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).