2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide

C13H13FN2OS — CID 55122299

IUPAC2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)ccc1N)c1ccsc1
InChIInChI=1S/C13H13FN2OS/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyWNAJVERIQJDXRK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds3

About 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide

2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 55122299) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID55122299
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)ccc1N)c1ccsc1
InChIInChI=1S/C13H13FN2OS/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyWNAJVERIQJDXRK-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 62842856
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
CID 107028724
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471804
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
3-amino-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115548964
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489
4-amino-1-methyl-N-(1-thiophen-3-ylethyl)pyrrole-2-carboxamide
CID 62841289

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide (CID 55122299) is 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide is CC(NC(=O)c1cc(F)ccc1N)c1ccsc1.
What is the InChIKey of 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is WNAJVERIQJDXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide?
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 55122299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).