3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide

C13H13F2N3OS — CID 63186296

IUPAC3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(NN)c(F)c1)c1cccs1
InChIInChI=1S/C13H13F2N3OS/c1-7(11-3-2-4-20-11)17-13(19)8-5-9(14)12(18-16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyLIIUPYHSVAPJNR-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.80
Rot. Bonds4

About 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide

3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 63186296) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID63186296
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(NN)c(F)c1)c1cccs1
InChIInChI=1S/C13H13F2N3OS/c1-7(11-3-2-4-20-11)17-13(19)8-5-9(14)12(18-16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyLIIUPYHSVAPJNR-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide (CID 63186296) is 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1cc(F)c(NN)c(F)c1)c1cccs1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is LIIUPYHSVAPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7(11-3-2-4-20-11)17-13(19)8-5-9(14)12(18-16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide?
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 63186296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).