2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide

C14H12Cl2N2O2S — CID 27834779

IUPAC2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
SMILESO=C(CCc1cccs1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-3-5-12(16)11(8-9)14(20)18-17-13(19)6-4-10-2-1-7-21-10/h1-3,5,7-8H,4,6H2,(H,17,19)(H,18,20)
InChIKeyFPZRPUQENAZUFX-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.45
Rot. Bonds4

About 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide

2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide (PubChem CID 27834779) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
PubChem CID27834779
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
SMILESO=C(CCc1cccs1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-3-5-12(16)11(8-9)14(20)18-17-13(19)6-4-10-2-1-7-21-10/h1-3,5,7-8H,4,6H2,(H,17,19)(H,18,20)
InChIKeyFPZRPUQENAZUFX-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.45
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

3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 30859132
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
N-(4-chlorophenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24540531
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
CID 154103735
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide (CID 27834779) is 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide is O=C(CCc1cccs1)NNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide?
The InChIKey is FPZRPUQENAZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-9-3-5-12(16)11(8-9)14(20)18-17-13(19)6-4-10-2-1-7-21-10/h1-3,5,7-8H,4,6H2,(H,17,19)(H,18,20).
What are the key properties of 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide?
2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide has a molecular weight of 343.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide is sourced from PubChem (CID 27834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).