2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide

C13H11ClFNO3 — CID 95986600

IUPAC2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccoc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H11ClFNO3/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18)/t11-/m1/s1
InChIKeyPWSKHOGZOMVTBP-LLVKDONJSA-N
MW283.69 g/mol
LogP2.54
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide

2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide (PubChem CID 95986600) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
PubChem CID95986600
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccoc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H11ClFNO3/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18)/t11-/m1/s1
InChIKeyPWSKHOGZOMVTBP-LLVKDONJSA-N
XLogP2.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]naphthalene-1-carboxamide
CID 95986596
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide (CID 95986600) is 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide is O=C(NC[C@@H](O)c1ccoc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide?
The InChIKey is PWSKHOGZOMVTBP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide?
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide has a molecular weight of 283.69 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 95986600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).