2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide

C14H13BrN2O2S — CID 29264655

IUPAC2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O2S/c15-12-4-2-1-3-11(12)14(19)17-16-13(18)6-5-10-7-8-20-9-10/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19)
InChIKeyWLCKRBXLZOERGS-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.90
Rot. Bonds4

About 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide

2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide (PubChem CID 29264655) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
PubChem CID29264655
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O2S/c15-12-4-2-1-3-11(12)14(19)17-16-13(18)6-5-10-7-8-20-9-10/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19)
InChIKeyWLCKRBXLZOERGS-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.90
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

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 7968657
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460728
(2R)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460730
[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
CID 9037779
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
CID 30505197
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide (CID 29264655) is 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide is O=C(CCc1ccsc1)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide?
The InChIKey is WLCKRBXLZOERGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-12-4-2-1-3-11(12)14(19)17-16-13(18)6-5-10-7-8-20-9-10/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide?
2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide has a molecular weight of 353.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide is sourced from PubChem (CID 29264655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).