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

C17H13ClFNO2S — CID 163347197

IUPAC2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc(-c2ccco2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-12-3-1-4-13(19)16(12)17(21)20-9-8-11-6-7-15(23-11)14-5-2-10-22-14/h1-7,10H,8-9H2,(H,20,21)
InChIKeyTWFBRLCEOUBVDO-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.77
Rot. Bonds5

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

2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide (PubChem CID 163347197) 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-2-yl)thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
PubChem CID163347197
Molecular FormulaC17H13ClFNO2S
Molecular Weight349.81 g/mol
Exact Mass349.03
IUPAC Name2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc(-c2ccco2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-12-3-1-4-13(19)16(12)17(21)20-9-8-11-6-7-15(23-11)14-5-2-10-22-14/h1-7,10H,8-9H2,(H,20,21)
InChIKeyTWFBRLCEOUBVDO-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-3-yl)thiophen-2-yl]ethyl]benzamide
CID 119102178
4-(dimethylamino)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347241
4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347198
N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
CID 163347266
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-N'-phenyloxamide
CID 163347218
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684
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
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide (CID 163347197) is 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide is O=C(NCCc1ccc(-c2ccco2)s1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide?
The InChIKey is TWFBRLCEOUBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S/c18-12-3-1-4-13(19)16(12)17(21)20-9-8-11-6-7-15(23-11)14-5-2-10-22-14/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[5-(furan-2-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-2-yl)thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 163347197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).