2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide

C17H13ClFNO2S — CID 119102178

IUPAC2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-13-2-1-3-14(19)16(13)17(21)20-8-6-12-4-5-15(23-12)11-7-9-22-10-11/h1-5,7,9-10H,6,8H2,(H,20,21)
InChIKeySKXXBEOWPULOCD-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.77
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide

2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide (PubChem CID 119102178) has the molecular formula C17H13ClFNO2S and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide
PubChem CID119102178
Molecular FormulaC17H13ClFNO2S
Molecular Weight349.81 g/mol
Exact Mass349.03
IUPAC Name2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-13-2-1-3-14(19)16(13)17(21)20-8-6-12-4-5-15(23-12)11-7-9-22-10-11/h1-5,7,9-10H,6,8H2,(H,20,21)
InChIKeySKXXBEOWPULOCD-UHFFFAOYSA-N
XLogP4.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347197
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-oxoimidazolidine-1-carboxamide
CID 121019453
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 121019470
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121019439
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 129355793
3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid
CID 91585711
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 119102193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide (CID 119102178) is 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide is O=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide?
The InChIKey is SKXXBEOWPULOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S/c18-13-2-1-3-14(19)16(13)17(21)20-8-6-12-4-5-15(23-12)11-7-9-22-10-11/h1-5,7,9-10H,6,8H2,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide has a molecular weight of 349.81 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 119102178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).