2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide

C14H15FN2OS — CID 3156882

IUPAC2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCNCc1cccs1)c1ccccc1F
InChIInChI=1S/C14H15FN2OS/c15-13-6-2-1-5-12(13)14(18)17-8-7-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18)
InChIKeyOUMQYPTTXWLDEZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.41
Rot. Bonds6

About 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide

2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 3156882) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID3156882
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCNCc1cccs1)c1ccccc1F
InChIInChI=1S/C14H15FN2OS/c15-13-6-2-1-5-12(13)14(18)17-8-7-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18)
InChIKeyOUMQYPTTXWLDEZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16916583
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-fluoro-N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide;oxalic acid
CID 163327851

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 3156882) is 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide is O=C(NCCNCc1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is OUMQYPTTXWLDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-13-6-2-1-5-12(13)14(18)17-8-7-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18).
What are the key properties of 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide?
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 3156882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).