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

C13H10Cl2FNOS — CID 51938203

IUPAC5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2FNOS/c1-7(11-4-5-12(15)19-11)17-13(18)9-6-8(14)2-3-10(9)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyIPTDBHKPDIMEFI-ZETCQYMHSA-N
MW318.20 g/mol
LogP4.68
Rot. Bonds3

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

5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 51938203) has the molecular formula C13H10Cl2FNOS and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
PubChem CID51938203
Molecular FormulaC13H10Cl2FNOS
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2FNOS/c1-7(11-4-5-12(15)19-11)17-13(18)9-6-8(14)2-3-10(9)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyIPTDBHKPDIMEFI-ZETCQYMHSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
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
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2-nitrobenzamide
CID 61041246
5-amino-2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471686
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide (CID 51938203) is 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide is C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is IPTDBHKPDIMEFI-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H10Cl2FNOS/c1-7(11-4-5-12(15)19-11)17-13(18)9-6-8(14)2-3-10(9)16/h2-7H,1H3,(H,17,18)/t7-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide?
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 318.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 51938203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).