N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide

C13H11ClFNOS — CID 47168597

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNOS/c1-8(11-6-7-12(14)18-11)16-13(17)9-4-2-3-5-10(9)15/h2-8H,1H3,(H,16,17)
InChIKeySMCMIPJZLSYBNU-UHFFFAOYSA-N
MW283.75 g/mol
LogP4.03
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 47168597) has the molecular formula C13H11ClFNOS and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
PubChem CID47168597
Molecular FormulaC13H11ClFNOS
Molecular Weight283.75 g/mol
Exact Mass283.02
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNOS/c1-8(11-6-7-12(14)18-11)16-13(17)9-4-2-3-5-10(9)15/h2-8H,1H3,(H,16,17)
InChIKeySMCMIPJZLSYBNU-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296251
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide (CID 47168597) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1ccccc1F)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is SMCMIPJZLSYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c1-8(11-6-7-12(14)18-11)16-13(17)9-4-2-3-5-10(9)15/h2-8H,1H3,(H,16,17).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 283.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 47168597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).